N-[2-(2-azanylethanoylamino)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanylethanoylamino)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-aminoacetyl)amino]-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-2-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-1-oxoethyl)amino]-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-aminoacetyl)amino]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[1-(glycylamino)-2-keto-1-methyl-2-piperidino-ethyl]-2-(4-pyridyl)isonipecotamide Formula: C21H32N6O3 MolecularWeight: 416.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)(NC(=O)CN)NC(=O)C2CCNC(C2)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)N1CCCCC1)(NC(=O)CN)NC(=O)C2CCNC(C2)C3=CC=NC=C3

InChI

InChI=1S/C21H32N6O3/c1-21(25-18(28)14-22,20(30)27-11-3-2-4-12-27)26-19(29)16-7-10-24-17(13-16)15-5-8-23-9-6-15/h5-6,8-9,16-17,24H,2-4,7,10-14,22H2,1H3,(H,25,28)(H,26,29)