1-[(4-methylphenyl)methyl]-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)azepan-2-one

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)azepan-2-one Openeye Name: 1-(p-tolylmethyl)-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]azepan-2-one CAS Name: 1-[(4-methylphenyl)methyl]-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-azepanone IUPAC Name: 1-[(4-methylphenyl)methyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(4-methylbenzyl)-5-[4-(2-thenoyl)piperazino]azepan-2-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O2S/c1-18-4-6-19(7-5-18)17-26-11-10-20(8-9-22(26)27)24-12-14-25(15-13-24)23(28)21-3-2-16-29-21/h2-7,16,20H,8-15,17H2,1H3