3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CC(C3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CC(C3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O/c1-19-23(20(2)30(28-19)16-8-15-27)13-14-26(31)29-17-22-11-6-7-12-24(22)25(18-29)21-9-4-3-5-10-21/h3-7,9-12,25H,8,13-14,16-18H2,1-2H3