N,N'-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pentane-1,5-diamine

Systemtic Name: N,N'-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pentane-1,5-diamine Openeye Name: N,N'-bis[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pentane-1,5-diamine CAS Name: N,N'-bis[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]pentane-1,5-diamine IUPAC Name: N,N'-bis[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]pentane-1,5-diamine Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-[5-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]pentyl]amine Formula: C39H42N6O2 MolecularWeight: 626.78978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CNCCCCCNCC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CNCCCCCNCC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H42N6O2/c1-46-36-20-16-30(17-21-36)38-32(28-44(42-38)34-12-6-3-7-13-34)26-40-24-10-5-11-25-41-27-33-29-45(35-14-8-4-9-15-35)43-39(33)31-18-22-37(47-2)23-19-31/h3-4,6-9,12-23,28-29,40-41H,5,10-11,24-27H2,1-2H3