8-chloranyl-3-ethyl-1-methyl-6-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-3-ethyl-1-methyl-6-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine Openeye Name: 8-chloro-3-ethyl-1-methyl-6-(m-tolyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine CAS Name: 8-chloro-3-ethyl-1-methyl-6-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine IUPAC Name: 8-chloro-3-ethyl-1-methyl-6-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine Traditional Name: 8-chloro-3-ethyl-1-methyl-6-(m-tolyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine Formula: C22H21ClN2 MolecularWeight: 348.86854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CN=C(C3=C(N2C(=C1)C)C=CC(=C3)Cl)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=C2CN=C(C3=C(N2C(=C1)C)C=CC(=C3)Cl)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H21ClN2/c1-4-16-11-15(3)25-20-9-8-18(23)12-19(20)22(24-13-21(16)25)17-7-5-6-14(2)10-17/h5-12H,4,13H2,1-3H3