1-butyl-6-(2-methoxyphenyl)-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]piperidin-2-one

Systemtic Name: 1-butyl-6-(2-methoxyphenyl)-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]piperidin-2-one Openeye Name: 1-butyl-6-(2-methoxyphenyl)-5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one CAS Name: 1-butyl-6-(2-methoxyphenyl)-5-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-piperidinone IUPAC Name: 1-butyl-6-(2-methoxyphenyl)-5-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one Traditional Name: 1-butyl-6-(2-methoxyphenyl)-5-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-2-piperidone Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)N2CCCN(CC2)CC3=CC=CS3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)N2CCCN(CC2)CC3=CC=CS3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H37N3O3S/c1-3-4-16-30-25(31)13-12-23(26(30)22-10-5-6-11-24(22)33-2)27(32)29-15-8-14-28(17-18-29)20-21-9-7-19-34-21/h5-7,9-11,19,23,26H,3-4,8,12-18,20H2,1-2H3