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

Systemtic Name: 4-(3,4-diethoxyphenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3,4-diethoxybenzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3,4-diethoxyphenyl)-oxomethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3,4-diethoxybenzoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3,4-diethoxybenzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)C)OCC

InChI

InChI=1S/C25H26N2O4S/c1-4-30-20-11-9-17(14-21(20)31-5-2)25(29)27-15-23(28)26-19-10-8-16(3)13-18(19)24(27)22-7-6-12-32-22/h6-14,24H,4-5,15H2,1-3H3,(H,26,28)