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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(3-phenoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(3-phenoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(3-phenoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(3-phenoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(3-phenoxyphenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC(=CC=C3)OC4=CC=CC=C4)C5CCCN5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC(=CC=C3)OC4=CC=CC=C4)C5CCCN5

InChI

InChI=1S/C28H35N5O/c1-2-7-20-32(19-6-1)27-15-18-30-28(31-27)33(26-14-9-17-29-26)21-16-23-10-8-13-25(22-23)34-24-11-4-3-5-12-24/h3-5,8,10-13,15,18,22,26,29H,1-2,6-7,9,14,16-17,19-21H2