4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-1-(4-methylphenyl)-5-thiophen-2-yl-pyrrolidin-2-one

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-1-(4-methylphenyl)-5-thiophen-2-yl-pyrrolidin-2-one Openeye Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-(p-tolyl)-5-(2-thienyl)pyrrolidin-2-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-1-(4-methylphenyl)-5-thiophen-2-yl-2-pyrrolidinone IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-(4-methylphenyl)-5-thiophen-2-ylpyrrolidin-2-one Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-(p-tolyl)-5-(2-thienyl)-2-pyrrolidone Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CS5

InChI

InChI=1S/C28H35N3O3S/c1-20-8-10-22(11-9-20)31-25(32)19-23(26(31)24-7-6-18-35-24)28(34)30-16-12-21(13-17-30)27(33)29-14-4-2-3-5-15-29/h6-11,18,21,23,26H,2-5,12-17,19H2,1H3