N-[2-[1-cyclohexyl-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]piperidin-2-yl]ethyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[1-cyclohexyl-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]piperidin-2-yl]ethyl]piperidine-4-carboxamide Openeye Name: N-[2-[1-cyclohexyl-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]-2-piperidyl]ethyl]piperidine-4-carboxamide CAS Name: N-[2-[1-cyclohexyl-3-[[4-(1-pyrrolidinyl)-2-pyrimidinyl]amino]-2-piperidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[1-cyclohexyl-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]piperidin-2-yl]ethyl]piperidine-4-carboxamide Traditional Name: N-[2-[1-cyclohexyl-3-[(4-pyrrolidinopyrimidin-2-yl)amino]-2-piperidyl]ethyl]isonipecotamide Formula: C27H45N7O MolecularWeight: 483.6925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC(C2CCNC(=O)C3CCNCC3)NC4=NC=CC(=N4)N5CCCC5

Isomeric SMILES

C1CCC(CC1)N2CCCC(C2CCNC(=O)C3CCNCC3)NC4=NC=CC(=N4)N5CCCC5

InChI

InChI=1S/C27H45N7O/c35-26(21-10-14-28-15-11-21)29-16-12-24-23(9-6-20-34(24)22-7-2-1-3-8-22)31-27-30-17-13-25(32-27)33-18-4-5-19-33/h13,17,21-24,28H,1-12,14-16,18-20H2,(H,29,35)(H,30,31,32)