3-[3,5-dimethyl-4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(m-tolyl)piperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C22H29N5O/c1-17-6-4-7-20(16-17)25-12-14-26(15-13-25)22(28)9-8-21-18(2)24-27(19(21)3)11-5-10-23/h4,6-7,16H,5,8-9,11-15H2,1-3H3