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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

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