(phenylmethyl) 4-[4-(azepan-1-ylcarbonyl)-5-chloranyl-thiophen-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(azepan-1-ylcarbonyl)-5-chloranyl-thiophen-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-(azepane-1-carbonyl)-5-chloro-2-thienyl]piperidine-1-carboxylate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-5-chloro-2-thiophenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(azepane-1-carbonyl)-5-chlorothiophen-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(azepane-1-carbonyl)-5-chloro-2-thienyl]piperidine-1-carboxylic acid benzyl ester Formula: C24H29ClN2O3S MolecularWeight: 461.01666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(SC(=C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(SC(=C2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H29ClN2O3S/c25-22-20(23(28)26-12-6-1-2-7-13-26)16-21(31-22)19-10-14-27(15-11-19)24(29)30-17-18-8-4-3-5-9-18/h3-5,8-9,16,19H,1-2,6-7,10-15,17H2