N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-chloranyl-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-chloranyl-2-methyl-quinoline-3-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-chloro-2-methyl-quinoline-3-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-6-chloro-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-chloro-2-methylquinoline-3-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-chloro-2-methyl-quinoline-3-carboxamide Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN6O/c1-15-19(13-16-12-17(25)9-10-21(16)29-15)24(32)28-11-5-8-22-20(14-26)23(27)31(30-22)18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13H,5,8,11,27H2,1H3,(H,28,32)