4-(azepan-1-yl)-N-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-pyrrolidin-2-yl-amine Formula: C25H33N7 MolecularWeight: 431.57642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N7/c1-2-7-17-31(16-6-1)23-12-15-27-25(29-23)32(22-11-8-14-26-22)18-13-21-19-28-30-24(21)20-9-4-3-5-10-20/h3-5,9-10,12,15,19,22,26H,1-2,6-8,11,13-14,16-18H2,(H,28,30)