1-(5-ethanoylnaphthalen-1-yl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea hydrochloride

Systemtic Name: 1-(5-ethanoylnaphthalen-1-yl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea hydrochloride Openeye Name: 1-(5-acetyl-1-naphthyl)-3-[4-(4-methylpiperazin-1-yl)-6-quinolyl]urea hydrochloride CAS Name: 1-(5-acetyl-1-naphthalenyl)-3-[4-(4-methyl-1-piperazinyl)-6-quinolinyl]urea hydrochloride IUPAC Name: 1-(5-acetylnaphthalen-1-yl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea hydrochloride Traditional Name: 1-(5-acetyl-1-naphthyl)-3-[4-(4-methylpiperazino)-6-quinolyl]urea hydrochloride Formula: C27H28ClN5O2 MolecularWeight: 489.99652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC2=C1C=CC=C2NC(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCN(CC5)C.Cl

Isomeric SMILES

CC(=O)C1=CC=CC2=C1C=CC=C2NC(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCN(CC5)C.Cl

InChI

InChI=1S/C27H27N5O2.ClH/c1-18(33)20-5-3-7-22-21(20)6-4-8-25(22)30-27(34)29-19-9-10-24-23(17-19)26(11-12-28-24)32-15-13-31(2)14-16-32;/h3-12,17H,13-16H2,1-2H3,(H2,29,30,34);1H