N-[1-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl]-4-piperidyl]cyclopropanecarboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N2CCC(CC2)NC(=O)C3CC3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N2CCC(CC2)NC(=O)C3CC3

InChI

InChI=1S/C21H28N4O2/c1-16(21(27)25(13-5-12-22)19-6-3-2-4-7-19)24-14-10-18(11-15-24)23-20(26)17-8-9-17/h2-4,6-7,16-18H,5,8-11,13-15H2,1H3,(H,23,26)