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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-phenoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-phenoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-phenoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-phenoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-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=C(C=C3)OC4=CC=CC=C4)C5CCCN5

Isomeric SMILES

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

InChI

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