furan-2-yl[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone

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Basic information

CAS: 889950-86-1
Standard SMILES: COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)C3c1ccc([N+](=O)[O-])cc1
InChIKey: XFRIDSFTLUHJFU-UHFFFAOYSA-N
Molecular formula: C23H19N3O5
Average molar mass: 417.4 g/mol
Monoisotopic mass: 417.13247072

Names & identifiers

Preferred name: furan-2-yl[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone
IUPAC: furan-2-yl-[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

Names & synonyms

889950-86-12-Furanyl[1,3,4,9-tetrahydro-6-methoxy-1-(4-nitrophenyl)-2H-pyrido[3,4-b]indol-2-yl]methanoneDTXSID201119529(Furan-2-yl)[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]methanoneSTK783554AKOS001730753furan-2-yl-[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanonefuran-2-yl[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone2-(2-furoyl)-6-methoxy-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline

Database identifiers

CAS: 889950-86-1
PubChem CID: 5301427
DTXSID: DTXSID201119529

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 104 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 31
Formal charge: 0
Complexity: 677

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