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

Systemtic Name: 5-(2-chlorophenyl)-7,8-dimethoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 1-allyl-5-(2-chlorophenyl)-7,8-dimethoxy-3-methyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-7,8-dimethoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-7,8-dimethoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 1-allyl-5-(2-chlorophenyl)-7,8-dimethoxy-3-methyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)OC)OC)N(N1)CC=C

Isomeric SMILES

CC1=C2C(=NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)OC)OC)N(N1)CC=C

InChI

InChI=1S/C22H21ClN4O2/c1-5-10-27-22-20(13(2)26-27)25-21(14-8-6-7-9-16(14)23)15-11-18(28-3)19(29-4)12-17(15)24-22/h5-9,11-12,26H,1,10H2,2-4H3