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

Systemtic Name: 5-(2-chloranylpropanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(2-chloropropanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(2-chloropropanoylamino)-N-(3-pyridylmethyl)benzamide Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C28H31ClN4O2/c1-20(29)27(34)32-24-9-10-26(25(17-24)28(35)31-19-23-8-5-13-30-18-23)33-14-11-22(12-15-33)16-21-6-3-2-4-7-21/h2-10,13,17-18,20,22H,11-12,14-16,19H2,1H3,(H,31,35)(H,32,34)