3-[(E)-2-(4-methylpiperazin-1-yl)carbonyl-3-oxidanylidene-but-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-(4-methylpiperazin-1-yl)carbonyl-3-oxidanylidene-but-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-(4-methylpiperazine-1-carbonyl)-3-oxo-but-1-enyl]benzonitrile CAS Name: 3-[(E)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-3-oxobut-1-enyl]benzonitrile IUPAC Name: 3-[(E)-2-(4-methylpiperazine-1-carbonyl)-3-oxobut-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-2-(4-methylpiperazine-1-carbonyl)but-1-enyl]benzonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C#N)/C(=O)N2CCN(CC2)C

InChI

InChI=1S/C17H19N3O2/c1-13(21)16(11-14-4-3-5-15(10-14)12-18)17(22)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3/b16-11+