N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-pyrrolidinyl)-1-piperidinecarboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-pyrrolidino-piperidine-1-carboxamide Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCC(CC2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC(CC2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C26H31N7O/c1-19-6-7-21(29-26(34)33-15-9-22(10-16-33)32-13-2-3-14-32)17-24(19)31-25-28-12-8-23(30-25)20-5-4-11-27-18-20/h4-8,11-12,17-18,22H,2-3,9-10,13-16H2,1H3,(H,29,34)(H,28,30,31)