4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile CAS Name: 4-[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile Traditional Name: 4-[3-[(4-methylpiperazino)methyl]benzoyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c1-22-9-11-23(12-10-22)15-17-3-2-4-19(13-17)20(24)18-7-5-16(14-21)6-8-18/h2-8,13H,9-12,15H2,1H3