1-(1-cyclohexylpiperidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine

Systemtic Name: 1-(1-cyclohexylpiperidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine Openeye Name: 1-(1-cyclohexyl-3-piperidyl)-N-(3-pyridylmethyl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine CAS Name: 1-(1-cyclohexyl-3-piperidinyl)-N-(3-pyridinylmethyl)-N-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]methanamine IUPAC Name: 1-(1-cyclohexylpiperidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine Traditional Name: (1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]amine Formula: C27H36N6 MolecularWeight: 444.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC(C2)CN(CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CCCC(C2)CN(CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C27H36N6/c1-2-10-25(11-3-1)32-16-5-9-24(21-32)20-31(19-23-8-4-13-28-18-23)22-26-12-6-17-33(26)27-29-14-7-15-30-27/h4,6-8,12-15,17-18,24-25H,1-3,5,9-11,16,19-22H2