1-(3,4-dihydro-1H-isochromen-1-yl)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]methanamine

Systemtic Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]methanamine Openeye Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-isochroman-1-yl-methanamine CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]methanamine IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]methanamine Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(isochroman-1-ylmethyl)amine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCC3C4=CC=CC=C4CCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCC3C4=CC=CC=C4CCO3)C

InChI

InChI=1S/C22H25N3O/c1-15-7-8-18(11-16(15)2)22-19(13-24-25-22)12-23-14-21-20-6-4-3-5-17(20)9-10-26-21/h3-8,11,13,21,23H,9-10,12,14H2,1-2H3,(H,24,25)