N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N7O2/c1-2-13-27-19(29)11-10-18(25-27)21(30)24-12-6-9-17-16(14-22)20(23)28(26-17)15-7-4-3-5-8-15/h3-5,7-8,10-11H,2,6,9,12-13,23H2,1H3,(H,24,30)