Benzo(6,7)cyclohept(1,2,3-de)isoquinoline-2(1H)-carboxamide, 3,7,8,12b-tetrahydro-
Basic information
- CAS
19701-67-8- Standard SMILES
NC(=O)N1Cc2cccc3c2C(C1)c1ccccc1CC3- InChIKey
SOXFMUXCRCFKMX-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.1419132
Names & identifiers
- Preferred name
- Benzo(6,7)cyclohept(1,2,3-de)isoquinoline-2(1H)-carboxamide, 3,7,8,12b-tetrahydro-
- IUPAC
- 16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaene-16-carboxamide
Names & synonyms
BRN 13519111,2,3,7,8,12b-Hexahydrobenzo(1,2)cyclohepta(3,4,5-de)isoquinoline-2-carboxamide3,7,8,12b-Tetrahydrobenzo(6,7)cyclohept(1,2,3-de)isoquinoline-2(1H)-carboxamideBenzo(6,7)cyclohept(1,2,3-de)isoquinoline-2(1H)-carboxamide, 3,7,8,12b-tetrahydro-RefChem:32604019701-67-8DTXSID609414653,7,8,12b-Tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinoline-2(1H)-carboximidic acid
Database identifiers
- CAS
19701-67-8- PubChem CID
- 209306
- DTXSID
DTXSID60941465
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
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