4-(azepan-1-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenyl-ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenyl-ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenyl-ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenylethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenylethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-phenyl-ethyl]-pyrrolidin-2-yl-amine Formula: C27H37N7 MolecularWeight: 459.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(CN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1)C)C(CN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H37N7/c1-20-26(21(2)32-31-20)23(22-11-6-5-7-12-22)19-34(24-13-10-15-28-24)27-29-16-14-25(30-27)33-17-8-3-4-9-18-33/h5-7,11-12,14,16,23-24,28H,3-4,8-10,13,15,17-19H2,1-2H3,(H,31,32)