N-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine

Systemtic Name: N-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine Openeye Name: N-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine CAS Name: N-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1-(4-pyrimidinyl)ethanamine IUPAC Name: N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-[1-(4-pyrimidyl)ethyl]amine Formula: C23H29N5 MolecularWeight: 375.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NCC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

CC(C1=NC=NC=C1)NCC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C23H29N5/c1-17(22-12-13-24-16-26-22)25-14-21-15-28(2)27-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-13,15-18,25H,3-7,14H2,1-2H3