N-(cyanomethyl)-4-[2-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-(4-pyrrolidinopiperidine-1-carbonyl)anilino]pyrimidin-4-yl]benzamide Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC=C(C=C5)C(=O)NCC#N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC=C(C=C5)C(=O)NCC#N

InChI

InChI=1S/C29H31N7O2/c30-14-16-31-27(37)22-5-3-21(4-6-22)26-11-15-32-29(34-26)33-24-9-7-23(8-10-24)28(38)36-19-12-25(13-20-36)35-17-1-2-18-35/h3-11,15,25H,1-2,12-13,16-20H2,(H,31,37)(H,32,33,34)