4-(3,4-dimethoxyphenyl)carbonyl-7-fluoranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)carbonyl-7-fluoranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-dimethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-dimethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-5-phenyl-4-veratroyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C24H21FN2O4 MolecularWeight: 420.432943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F)OC

InChI

InChI=1S/C24H21FN2O4/c1-30-20-11-8-16(12-21(20)31-2)24(29)27-14-22(28)26-19-10-9-17(25)13-18(19)23(27)15-6-4-3-5-7-15/h3-13,23H,14H2,1-2H3,(H,26,28)