Basic information
- Standard SMILES
CC1C2CCC3C4CC=C5CC(N(C)c6ccc(C#N)cc6)CCC5(C)C4CCC32CN1C- InChIKey
VPUJJAUTVKQOIW-UHFFFAOYSA-N- Molecular formula
- C30H41N3
- Average molar mass
- 443.7 g/mol
- Monoisotopic mass
- 443.33004832
Names & identifiers
- Preferred name
- 4-[Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amino]-benzonitrile
- IUPAC
- 4-[methyl-(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl)amino]benzonitrile
Names & synonyms
SCHEMBL2480095VPUJJAUTVKQOIW-UHFFFAOYSA-N4-[Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amino]-benzonitrile
Database identifiers
- PubChem CID
- 67423964
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 846
Related reactions
2 records
Compound notes
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