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

Systemtic Name: 7-bromanyl-5-thiophen-2-yl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(2-thienyl)-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[oxo-(3,4,5-triethoxyphenyl)methyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-thiophen-2-yl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(2-thienyl)-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Br

InChI

InChI=1S/C26H27BrN2O5S/c1-4-32-20-12-16(13-21(33-5-2)25(20)34-6-3)26(31)29-15-23(30)28-19-10-9-17(27)14-18(19)24(29)22-8-7-11-35-22/h7-14,24H,4-6,15H2,1-3H3,(H,28,30)