5-(2-chloranylpropanoylamino)-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: 5-(2-chloranylpropanoylamino)-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(2-chloropropanoylamino)-N-(3-ethoxypropyl)benzamide CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanoylamino)-N-(3-ethoxypropyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(2-chloropropanoylamino)-N-(3-ethoxypropyl)benzamide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)Cl)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)Cl)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H36ClN3O3/c1-3-34-17-7-14-29-27(33)24-19-23(30-26(32)20(2)28)10-11-25(24)31-15-12-22(13-16-31)18-21-8-5-4-6-9-21/h4-6,8-11,19-20,22H,3,7,12-18H2,1-2H3,(H,29,33)(H,30,32)