4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-N-methyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-N-methyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]-N-methyl-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[2-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]-N-methyl-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-N-methyl-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]-N-methyl-N-phenyl-piperidine-1-carboxamide Formula: C28H41N7O MolecularWeight: 491.67144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)N2CCC(CC2)N3CCCCC3NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)N2CCC(CC2)N3CCCCC3NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C28H41N7O/c1-32(23-11-5-4-6-12-23)28(36)34-21-15-24(16-22-34)35-20-10-7-13-26(35)31-27-29-17-14-25(30-27)33-18-8-2-3-9-19-33/h4-6,11-12,14,17,24,26H,2-3,7-10,13,15-16,18-22H2,1H3,(H,29,30,31)