5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine

Systemtic Name: 5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 1-allyl-5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 1-allyl-5-(2-chlorophenyl)-7-methoxy-3-methyl-8-phenyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Formula: C27H23ClN4O MolecularWeight: 454.95072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=C(C(=C3)C4=CC=CC=C4)OC)C(=N2)C5=CC=CC=C5Cl)N(N1)CC=C

Isomeric SMILES

CC1=C2C(=NC3=C(C=C(C(=C3)C4=CC=CC=C4)OC)C(=N2)C5=CC=CC=C5Cl)N(N1)CC=C

InChI

InChI=1S/C27H23ClN4O/c1-4-14-32-27-25(17(2)31-32)30-26(19-12-8-9-13-22(19)28)21-16-24(33-3)20(15-23(21)29-27)18-10-6-5-7-11-18/h4-13,15-16,31H,1,14H2,2-3H3