N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-N-(phenylmethyl)ethanamine

Systemtic Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine Traditional Name: benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-phenethyl-amine Formula: C27H29N3 MolecularWeight: 395.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN(CCC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN(CCC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3/c1-21-13-14-25(17-22(21)2)27-26(18-28-29-27)20-30(19-24-11-7-4-8-12-24)16-15-23-9-5-3-6-10-23/h3-14,17-18H,15-16,19-20H2,1-2H3,(H,28,29)