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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethanoyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)acetyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-homoveratroyl-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H24N2O4S/c1-15-6-8-18-17(11-15)24(21-5-4-10-31-21)26(14-22(27)25-18)23(28)13-16-7-9-19(29-2)20(12-16)30-3/h4-12,24H,13-14H2,1-3H3,(H,25,27)