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

Systemtic Name: 7-bromanyl-4-(3,5-dimethoxyphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(3,5-dimethoxybenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[(3,5-dimethoxyphenyl)-oxomethyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(3,5-dimethoxybenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(3,5-dimethoxybenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O4S/c1-28-15-8-13(9-16(11-15)29-2)22(27)25-12-20(26)24-18-6-5-14(23)10-17(18)21(25)19-4-3-7-30-19/h3-11,21H,12H2,1-2H3,(H,24,26)