Basic information
- CAS
72593-10-3- Standard SMILES
COc1ccc(C(=O)NCCN2CCN3Cc4[nH]c5ccccc5c4CC3C2)cc1- InChIKey
ZEURCBHOOPQIRW-UHFFFAOYSA-N- Molecular formula
- C24H28N4O2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.22122615
Names & identifiers
- Preferred name
- Benzamide, N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-4-methoxy-
- IUPAC
- 4-methoxy-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Names & synonyms
Benzamide, N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-4-methoxy-72593-10-3RefChem:1078047NSC600815BRN 45876594-methoxy-N-(2-[?]ylethyl)benzamideNSC-600815N-[2-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethyl]-4-methoxybenzamide
Database identifiers
- CAS
72593-10-3- PubChem CID
- 51628
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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