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

Systemtic Name: 5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 1-allyl-5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 1-allyl-5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC3=C(NN(C3=N2)CC=C)C)C4=CC=CC=C4Cl)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC3=C(NN(C3=N2)CC=C)C)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C22H21ClN4O/c1-5-10-27-22-20(14(3)26-27)25-21(15-8-6-7-9-17(15)23)16-11-13(2)19(28-4)12-18(16)24-22/h5-9,11-12,26H,1,10H2,2-4H3