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

Systemtic Name: 5-(4-fluorophenyl)-7-methyl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-fluorophenyl)-7-methyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 5-(4-fluorophenyl)-7-methyl-4-[oxo-(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-fluorophenyl)-7-methyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-fluorophenyl)-7-methyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C29H31FN2O5 MolecularWeight: 506.565243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

InChI

InChI=1S/C29H31FN2O5/c1-5-35-24-15-20(16-25(36-6-2)28(24)37-7-3)29(34)32-17-26(33)31-23-13-8-18(4)14-22(23)27(32)19-9-11-21(30)12-10-19/h8-16,27H,5-7,17H2,1-4H3,(H,31,33)