2-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzamide

Systemtic Name: 2-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzamide Openeye Name: 2-[4-[4-(4-methylpiperazin-1-yl)anilino]-6-quinolyl]benzamide CAS Name: 2-[4-[4-(4-methyl-1-piperazinyl)anilino]-6-quinolinyl]benzamide IUPAC Name: 2-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]benzamide Traditional Name: 2-[4-[4-(4-methylpiperazino)anilino]-6-quinolyl]benzamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=CC=C5C(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=CC=C5C(=O)N

InChI

InChI=1S/C27H27N5O/c1-31-14-16-32(17-15-31)21-9-7-20(8-10-21)30-26-12-13-29-25-11-6-19(18-24(25)26)22-4-2-3-5-23(22)27(28)33/h2-13,18H,14-17H2,1H3,(H2,28,33)(H,29,30)