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

Systemtic Name: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Openeye Name: 3-(p-tolyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine CAS Name: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine IUPAC Name: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Traditional Name: 3-(p-tolyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2

InChI

InChI=1S/C16H20N2/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-18-16/h6-9,13H,2-5,10-11H2,1H3