2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(piperazine-1-carbonyl)-2-(p-tolyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(piperazine-1-carbonyl)-2-(p-tolyl)-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C26H26N4O3S/c1-17-4-6-18(7-5-17)22-16-24(31)28-20-15-19(25(32)29-12-10-27-11-13-29)8-9-21(20)30(22)26(33)23-3-2-14-34-23/h2-9,14-15,22,27H,10-13,16H2,1H3,(H,28,31)