3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine

Systemtic Name: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Openeye Name: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine CAS Name: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine IUPAC Name: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Traditional Name: 3-(4-ethylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Formula: C17H22N2 MolecularWeight: 254.36998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2

InChI

InChI=1S/C17H22N2/c1-2-13-7-9-15(10-8-13)17-12-11-14-5-3-4-6-16(14)18-19-17/h7-10,14H,2-6,11-12H2,1H3