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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-benzyloxy-3-methoxy-phenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-benzoxy-3-methoxy-phenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

InChI

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