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

Systemtic Name: 4-(3,4-dimethoxyphenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-dimethoxybenzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-dimethoxybenzoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-methyl-5-(2-thienyl)-4-veratroyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-14-6-8-17-16(11-14)22(20-5-4-10-30-20)25(13-21(26)24-17)23(27)15-7-9-18(28-2)19(12-15)29-3/h4-12,22H,13H2,1-3H3,(H,24,26)