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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-heptoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-heptoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-heptoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-heptoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-heptoxyphenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C29H45N5O MolecularWeight: 479.7005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C29H45N5O/c1-2-3-4-7-10-24-35-26-15-13-25(14-16-26)18-23-34(27-12-11-19-30-27)29-31-20-17-28(32-29)33-21-8-5-6-9-22-33/h13-17,20,27,30H,2-12,18-19,21-24H2,1H3