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

Systemtic Name: 5-(2-chlorophenyl)-7-fluoranyl-8-methoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 1-allyl-5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-1-prop-2-enyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 1-allyl-5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2H-pyrazolo[3,4-b][1,4]benzodiazepine Formula: C21H18ClFN4O MolecularWeight: 396.845223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN4O/c1-4-9-27-21-19(12(2)26-27)25-20(13-7-5-6-8-15(13)22)14-10-16(23)18(28-3)11-17(14)24-21/h4-8,10-11,26H,1,9H2,2-3H3