5-(4-methoxyphenyl)carbonyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-(4-methoxyphenyl)carbonyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(4-methoxybenzoyl)-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(4-methoxybenzoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-p-anisoyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

InChI

InChI=1S/C25H22N2O3S/c1-30-17-13-11-16(12-14-17)25(29)27-20-8-3-2-6-18(20)26-19-7-4-9-21(28)23(19)24(27)22-10-5-15-31-22/h2-3,5-6,8,10-15,24,26H,4,7,9H2,1H3