3-[7-[4-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-butoxy]quinazolin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile hydrochloride

Systemtic Name: 3-[7-[4-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-butoxy]quinazolin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile hydrochloride Openeye Name: 3-[7-[4-(4-acetylpiperazin-1-yl)-2-oxo-butoxy]quinazolin-4-yl]-2-oxo-indoline-5-carbonitrile hydrochloride CAS Name: 3-[7-[4-(4-acetyl-1-piperazinyl)-2-oxobutoxy]-4-quinazolinyl]-2-oxo-1,3-dihydroindole-5-carbonitrile hydrochloride IUPAC Name: 3-[7-[4-(4-acetylpiperazin-1-yl)-2-oxobutoxy]quinazolin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile hydrochloride Traditional Name: 3-[7-[4-(4-acetylpiperazino)-2-keto-butoxy]quinazolin-4-yl]-2-keto-indoline-5-carbonitrile hydrochloride Formula: C27H27ClN6O4 MolecularWeight: 534.99408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCC(=O)COC2=CC3=C(C=C2)C(=NC=N3)C4C5=C(C=CC(=C5)C#N)NC4=O.Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)CCC(=O)COC2=CC3=C(C=C2)C(=NC=N3)C4C5=C(C=CC(=C5)C#N)NC4=O.Cl

InChI

InChI=1S/C27H26N6O4.ClH/c1-17(34)33-10-8-32(9-11-33)7-6-19(35)15-37-20-3-4-21-24(13-20)29-16-30-26(21)25-22-12-18(14-28)2-5-23(22)31-27(25)36;/h2-5,12-13,16,25H,6-11,15H2,1H3,(H,31,36);1H