1-(3-cyano-4-pyridin-4-yl-phenyl)-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea

Systemtic Name: 1-(3-cyano-4-pyridin-4-yl-phenyl)-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea Openeye Name: 1-[3-cyano-4-(4-pyridyl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-3-quinolyl]urea CAS Name: 1-(3-cyano-4-pyridin-4-ylphenyl)-3-[5-(4-methyl-1-piperazinyl)-3-quinolinyl]urea IUPAC Name: 1-(3-cyano-4-pyridin-4-ylphenyl)-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea Traditional Name: 1-[3-cyano-4-(4-pyridyl)phenyl]-3-[5-(4-methylpiperazino)-3-quinolyl]urea Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=NC=C(C=C32)NC(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=NC=C(C=C32)NC(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)C#N

InChI

InChI=1S/C27H25N7O/c1-33-11-13-34(14-12-33)26-4-2-3-25-24(26)16-22(18-30-25)32-27(35)31-21-5-6-23(20(15-21)17-28)19-7-9-29-10-8-19/h2-10,15-16,18H,11-14H2,1H3,(H2,31,32,35)