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

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]-3-(3-methyl-4-pyridin-4-yl-phenyl)urea Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-3-quinolyl]-3-[3-methyl-4-(4-pyridyl)phenyl]urea CAS Name: 1-[5-(4-methyl-1-piperazinyl)-3-quinolinyl]-3-(3-methyl-4-pyridin-4-ylphenyl)urea IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]-3-(3-methyl-4-pyridin-4-ylphenyl)urea Traditional Name: 1-[5-(4-methylpiperazino)-3-quinolyl]-3-[3-methyl-4-(4-pyridyl)phenyl]urea Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CN=C3C=CC=C(C3=C2)N4CCN(CC4)C)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=CN=C3C=CC=C(C3=C2)N4CCN(CC4)C)C5=CC=NC=C5

InChI

InChI=1S/C27H28N6O/c1-19-16-21(6-7-23(19)20-8-10-28-11-9-20)30-27(34)31-22-17-24-25(29-18-22)4-3-5-26(24)33-14-12-32(2)13-15-33/h3-11,16-18H,12-15H2,1-2H3,(H2,30,31,34)