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

Systemtic Name: 4-(3,4-diethoxyphenyl)carbonyl-7-fluoranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-diethoxyphenyl)-oxomethyl]-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H25FN2O4 MolecularWeight: 448.486103

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=CC=C4)C=C(C=C3)F)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2O4/c1-3-32-22-13-10-18(14-23(22)33-4-2)26(31)29-16-24(30)28-21-12-11-19(27)15-20(21)25(29)17-8-6-5-7-9-17/h5-15,25H,3-4,16H2,1-2H3,(H,28,30)