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

Systemtic Name: 2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-1-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(piperazine-1-carbonyl)-2-(p-tolyl)-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-1-(1-oxo-2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-1-(2-thiophen-2-ylacetyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(piperazine-1-carbonyl)-2-(p-tolyl)-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC4=CC=CS4)C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC4=CC=CS4)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C27H28N4O3S/c1-18-4-6-19(7-5-18)24-17-25(32)29-22-15-20(27(34)30-12-10-28-11-13-30)8-9-23(22)31(24)26(33)16-21-3-2-14-35-21/h2-9,14-15,24,28H,10-13,16-17H2,1H3,(H,29,32)