N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]quinoline-2-carboxamide

Systemtic Name: N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]quinoline-2-carboxamide Openeye Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]quinoline-2-carboxamide CAS Name: N-[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]quinoline-2-carboxamide Traditional Name: N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]quinaldamide Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H23N5O3/c1-18-25(28(36)33(32(18)2)22-12-4-3-5-13-22)31-26(34)20-10-8-11-21(17-20)29-27(35)24-16-15-19-9-6-7-14-23(19)30-24/h3-17H,1-2H3,(H,29,35)(H,31,34)