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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(2-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(2-benzyloxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(2-phenylmethoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(2-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=C3OCC4=CC=CC=C4)C5CCCN5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC=CC=C3OCC4=CC=CC=C4)C5CCCN5

InChI

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