N-(1,2-oxazol-3-ylmethyl)-1-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide

Systemtic Name: N-(1,2-oxazol-3-ylmethyl)-1-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-(1-benzyl-4-piperidyl)-N-(isoxazol-3-ylmethyl)piperidine-3-carboxamide CAS Name: N-(3-isoxazolylmethyl)-1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinecarboxamide IUPAC Name: 1-(1-benzylpiperidin-4-yl)-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-(1-benzyl-4-piperidyl)-N-(isoxazol-3-ylmethyl)nipecotamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3)C(=O)NCC4=NOC=C4

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C22H30N4O2/c27-22(23-15-20-10-14-28-24-20)19-7-4-11-26(17-19)21-8-12-25(13-9-21)16-18-5-2-1-3-6-18/h1-3,5-6,10,14,19,21H,4,7-9,11-13,15-17H2,(H,23,27)