4-(azepan-1-yl)-N-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-pyrrolidin-1-ylphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[[4-(1-pyrrolidinyl)phenyl]methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-pyrrolidinobenzyl)-3-piperidyl]amine Formula: C26H38N6 MolecularWeight: 434.62012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C26H38N6/c1-2-4-19-32(18-3-1)25-13-14-27-26(29-25)28-23-8-7-15-30(21-23)20-22-9-11-24(12-10-22)31-16-5-6-17-31/h9-14,23H,1-8,15-21H2,(H,27,28,29)