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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethanoyl]-7-fluoranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-4-homoveratroyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C25H23FN2O4 MolecularWeight: 434.459523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN2O4/c1-31-21-11-8-16(12-22(21)32-2)13-24(30)28-15-23(29)27-20-10-9-18(26)14-19(20)25(28)17-6-4-3-5-7-17/h3-12,14,25H,13,15H2,1-2H3,(H,27,29)