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

Systemtic Name: 4-(3,4-dimethoxyphenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-dimethoxybenzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-dimethoxybenzoyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-5-(2-thienyl)-4-veratroyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O4S/c1-28-17-8-5-13(10-18(17)29-2)22(27)25-12-20(26)24-16-7-6-14(23)11-15(16)21(25)19-4-3-9-30-19/h3-11,21H,12H2,1-2H3,(H,24,26)