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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-benzoxy-3-methoxy-benzyl)-3-piperidyl]amine Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H39N5O2/c1-36-28-20-25(13-14-27(28)37-23-24-10-5-4-6-11-24)21-34-17-9-12-26(22-34)32-30-31-16-15-29(33-30)35-18-7-2-3-8-19-35/h4-6,10-11,13-16,20,26H,2-3,7-9,12,17-19,21-23H2,1H3,(H,31,32,33)