N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-propan-2-yl-piperidin-2-yl]ethyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-propan-2-yl-piperidin-2-yl]ethyl]piperidine-4-carboxamide Openeye Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-isopropyl-2-piperidyl]ethyl]piperidine-4-carboxamide CAS Name: N-[2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-propan-2-yl-2-piperidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpiperidin-2-yl]ethyl]piperidine-4-carboxamide Traditional Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-isopropyl-2-piperidyl]ethyl]isonipecotamide Formula: C26H45N7O MolecularWeight: 471.6818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1CCNC(=O)C2CCNCC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CC(C)N1CCCC(C1CCNC(=O)C2CCNCC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C26H45N7O/c1-20(2)33-19-7-8-22(23(33)11-15-28-25(34)21-9-13-27-14-10-21)30-26-29-16-12-24(31-26)32-17-5-3-4-6-18-32/h12,16,20-23,27H,3-11,13-15,17-19H2,1-2H3,(H,28,34)(H,29,30,31)