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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

InChI

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