N-[2-[(4-methylphenyl)carbamoylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)carbamoylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[3-oxo-3-(1-piperidyl)-2-(p-tolylcarbamoylamino)propyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[[(4-methylanilino)-oxomethyl]amino]-3-oxo-3-(1-piperidinyl)propyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)carbamoylamino]-3-oxo-3-piperidin-1-ylpropyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[3-keto-3-piperidino-2-(p-tolylcarbamoylamino)propyl]-1-(4-pyridyl)isonipecotamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(CNC(=O)C2CCN(CC2)C3=CC=NC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(CNC(=O)C2CCN(CC2)C3=CC=NC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H36N6O3/c1-20-5-7-22(8-6-20)30-27(36)31-24(26(35)33-15-3-2-4-16-33)19-29-25(34)21-11-17-32(18-12-21)23-9-13-28-14-10-23/h5-10,13-14,21,24H,2-4,11-12,15-19H2,1H3,(H,29,34)(H2,30,31,36)