4-(4-tert-butylphenyl)-7-chloranyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Systemtic Name: 4-(4-tert-butylphenyl)-7-chloranyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Openeye Name: 4-(4-tert-butylphenyl)-7-chloro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine CAS Name: 4-(4-tert-butylphenyl)-7-chloro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine IUPAC Name: 4-(4-tert-butylphenyl)-7-chloro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Traditional Name: 4-(4-tert-butylphenyl)-7-chloro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Formula: C22H23ClN2 MolecularWeight: 350.88442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3C4=C(CN2)C(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3C4=C(CN2)C(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2/c1-22(2,3)16-11-9-15(10-12-16)21-20-8-5-13-25(20)19-7-4-6-18(23)17(19)14-24-21/h4-13,21,24H,14H2,1-3H3