N-[(2S)-1-[cyano(methyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-pyridin-4-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[(2S)-1-[cyano(methyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-pyridin-4-ylpiperazin-1-yl)benzamide Openeye Name: N-[(1S)-1-[cyano(methyl)carbamoyl]-3-methyl-butyl]-4-[4-(4-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[(2S)-1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(4-pyridin-4-yl-1-piperazinyl)benzamide IUPAC Name: N-[(2S)-1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(4-pyridin-4-ylpiperazin-1-yl)benzamide Traditional Name: N-[(1S)-1-[cyano(methyl)carbamoyl]-3-methyl-butyl]-4-[4-(4-pyridyl)piperazino]benzamide Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N(C)C#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H30N6O2/c1-18(2)16-22(24(32)28(3)17-25)27-23(31)19-4-6-20(7-5-19)29-12-14-30(15-13-29)21-8-10-26-11-9-21/h4-11,18,22H,12-16H2,1-3H3,(H,27,31)/t22-/m0/s1