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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-benzyloxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-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=C(C=C3)OCC4=CC=CC=C4)C5CCCN5

Isomeric SMILES

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

InChI

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