1-[6-[(2-aminophenyl)amino]-6-oxidanylidene-hexyl]-6-methoxy-N-(2-methyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-[6-[(2-aminophenyl)amino]-6-oxidanylidene-hexyl]-6-methoxy-N-(2-methyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-[6-(2-aminoanilino)-6-oxo-hexyl]-6-methoxy-N-(2-methyl-5-phenyl-pyrazol-3-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-[6-(2-aminoanilino)-6-oxohexyl]-6-methoxy-N-(2-methyl-5-phenyl-3-pyrazolyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-[6-(2-aminoanilino)-6-oxohexyl]-6-methoxy-N-(2-methyl-5-phenylpyrazol-3-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-[6-(2-aminoanilino)-6-keto-hexyl]-4-keto-6-methoxy-N-(2-methyl-5-phenyl-pyrazol-3-yl)quinoline-3-carboxamide Formula: C33H34N6O4 MolecularWeight: 578.66086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CN(C4=C(C3=O)C=C(C=C4)OC)CCCCCC(=O)NC5=CC=CC=C5N

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CN(C4=C(C3=O)C=C(C=C4)OC)CCCCCC(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C33H34N6O4/c1-38-30(20-28(37-38)22-11-5-3-6-12-22)36-33(42)25-21-39(29-17-16-23(43-2)19-24(29)32(25)41)18-10-4-7-15-31(40)35-27-14-9-8-13-26(27)34/h3,5-6,8-9,11-14,16-17,19-21H,4,7,10,15,18,34H2,1-2H3,(H,35,40)(H,36,42)