4-(3,4-diethoxyphenyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(3,4-diethoxyphenyl)carbonyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-diethoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-diethoxyphenyl)-oxomethyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-diethoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3,4-diethoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H27FN2O4 MolecularWeight: 462.512683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C)OCC

InChI

InChI=1S/C27H27FN2O4/c1-4-33-23-13-9-19(15-24(23)34-5-2)27(32)30-16-25(31)29-22-12-6-17(3)14-21(22)26(30)18-7-10-20(28)11-8-18/h6-15,26H,4-5,16H2,1-3H3,(H,29,31)