2-[4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-isovalerylpiperazino)methyl]phenyl]benzonitrile Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H27N3O/c1-18(2)15-23(27)26-13-11-25(12-14-26)17-19-7-9-20(10-8-19)22-6-4-3-5-21(22)16-24/h3-10,18H,11-15,17H2,1-2H3