N-[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide Openeye Name: N-[2-[cyano(methyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]quinoline-3-carboxamide CAS Name: N-[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]quinoline-3-carboxamide Traditional Name: N-[2-[cyano(methyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]quinoline-3-carboxamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H24N4O2/c1-25(14-22)21(27)19(11-15-7-3-2-4-8-15)24-20(26)17-12-16-9-5-6-10-18(16)23-13-17/h5-6,9-10,12-13,15,19H,2-4,7-8,11H2,1H3,(H,24,26)