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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(3-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(3-benzyloxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(3-phenylmethoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(3-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(3-benzoxyphenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C29H37N5O MolecularWeight: 471.63698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC(=CC=C3)OCC4=CC=CC=C4)C5CCCN5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC(=CC=C3)OCC4=CC=CC=C4)C5CCCN5

InChI

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