(3E)-3-[4-(4-methylpiperazin-1-yl)carbonyl-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile hydrochloride

Systemtic Name: (3E)-3-[4-(4-methylpiperazin-1-yl)carbonyl-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile hydrochloride Openeye Name: (3E)-3-[4-(4-methylpiperazine-1-carbonyl)-1H-pyridin-2-ylidene]-2-oxo-indoline-5-carbonitrile hydrochloride CAS Name: (3E)-3-[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile hydrochloride IUPAC Name: (3E)-3-[4-(4-methylpiperazine-1-carbonyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile hydrochloride Traditional Name: (3E)-2-keto-3-[4-(4-methylpiperazine-1-carbonyl)-1H-pyridin-2-ylidene]indoline-5-carbonitrile hydrochloride Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C3C4=C(C=CC(=C4)C#N)NC3=O)NC=C2.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C/C(=C\3/C4=C(C=CC(=C4)C#N)NC3=O)/NC=C2.Cl

InChI

InChI=1S/C20H19N5O2.ClH/c1-24-6-8-25(9-7-24)20(27)14-4-5-22-17(11-14)18-15-10-13(12-21)2-3-16(15)23-19(18)26;/h2-5,10-11,22H,6-9H2,1H3,(H,23,26);1H/b18-17+;