2-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-c]pyridin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-c]pyridin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-yl-imidazo[4,5-c]pyridin-5-yl)methyl]benzonitrile CAS Name: 2-[[3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-c]pyridinyl]methyl]benzonitrile IUPAC Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridin-5-yl)methyl]benzonitrile Traditional Name: 2-[(3-but-2-ynyl-4-keto-2-piperazino-imidazo[4,5-c]pyridin-5-yl)methyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=CN(C2=O)CC3=CC=CC=C3C#N)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=CN(C2=O)CC3=CC=CC=C3C#N)N=C1N4CCNCC4

InChI

InChI=1S/C22H22N6O/c1-2-3-11-28-20-19(25-22(28)26-13-9-24-10-14-26)8-12-27(21(20)29)16-18-7-5-4-6-17(18)15-23/h4-8,12,24H,9-11,13-14,16H2,1H3