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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethanoyl]-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-4-homoveratroyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F)OC

InChI

InChI=1S/C23H21FN2O4S/c1-29-18-8-5-14(10-19(18)30-2)11-22(28)26-13-21(27)25-17-7-6-15(24)12-16(17)23(26)20-4-3-9-31-20/h3-10,12,23H,11,13H2,1-2H3,(H,25,27)