N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[(4-ureidophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-(4-ureidobenzyl)isonipecotamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)NC(=O)N)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)NC(=O)N)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H22N6O2/c21-11-15-3-6-18(23-13-15)26-9-7-16(8-10-26)19(27)24-12-14-1-4-17(5-2-14)25-20(22)28/h1-6,13,16H,7-10,12H2,(H,24,27)(H3,22,25,28)