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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-benzyloxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-phenylmethoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-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=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

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