N,N'-bis[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ethane-1,2-diamine

Systemtic Name: N,N'-bis[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ethane-1,2-diamine Openeye Name: N,N'-bis[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ethane-1,2-diamine CAS Name: N,N'-bis[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]ethane-1,2-diamine IUPAC Name: N,N'-bis[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethane-1,2-diamine Traditional Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl-[2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylamino]ethyl]amine Formula: C36H36N6 MolecularWeight: 552.71124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNCCNCC3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNCCNCC3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H36N6/c1-27-13-17-29(18-14-27)35-31(25-41(39-35)33-9-5-3-6-10-33)23-37-21-22-38-24-32-26-42(34-11-7-4-8-12-34)40-36(32)30-19-15-28(2)16-20-30/h3-20,25-26,37-38H,21-24H2,1-2H3