3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile CAS Name: 3-[[2-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]benzoyl]benzonitrile Traditional Name: 3-[2-[(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=C2C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC=C2C(=O)C3=CC=CC(=C3)C#N

InChI

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