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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(2-benzyloxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(2-phenylmethoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2-benzoxybenzyl)-3-piperidyl]amine Formula: C29H37N5O MolecularWeight: 471.63698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O/c1-2-9-20-34(19-8-1)28-16-17-30-29(32-28)31-26-14-10-18-33(22-26)21-25-13-6-7-15-27(25)35-23-24-11-4-3-5-12-24/h3-7,11-13,15-17,26H,1-2,8-10,14,18-23H2,(H,30,31,32)