(3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-quinoline-6-carbonitrile

Systemtic Name: (3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-quinoline-6-carbonitrile Openeye Name: (3E)-4-amino-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-quinoline-6-carbonitrile CAS Name: (3E)-4-amino-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-6-quinolinecarbonitrile IUPAC Name: (3E)-4-amino-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxoquinoline-6-carbonitrile Traditional Name: (3E)-4-amino-2-keto-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]quinoline-6-carbonitrile Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C=C(C=CC5=NC4=O)C#N)N)N3

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C=C(C=CC5=NC4=O)C#N)N)/N3

InChI

InChI=1S/C22H21N7O/c1-28-6-8-29(9-7-28)14-3-5-17-18(11-14)26-21(25-17)19-20(24)15-10-13(12-23)2-4-16(15)27-22(19)30/h2-5,10-11,25-26H,6-9,24H2,1H3/b21-19+