N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide Formula: C25H18N6O MolecularWeight: 418.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C25H18N6O/c1-17-14-23(28-22-7-3-2-6-21(17)22)31-24(19(15-26)16-27-31)29-25(32)18-8-10-20(11-9-18)30-12-4-5-13-30/h2-14,16H,1H3,(H,29,32)