4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]butanenitrile

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]butanenitrile Openeye Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]butanenitrile CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]butanenitrile IUPAC Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]butanenitrile Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]butyronitrile Formula: C21H22N4 MolecularWeight: 330.42618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC#N)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCC#N)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4/c1-24(15-9-8-14-22)16-19-17-25(20-12-6-3-7-13-20)23-21(19)18-10-4-2-5-11-18/h2-7,10-13,17H,8-9,15-16H2,1H3