hexyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate

Systemtic Name: hexyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate Openeye Name: hexyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid hexyl ester IUPAC Name: hexyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid hexyl ester Formula: C33H30N4O4 MolecularWeight: 546.6157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C33H30N4O4/c1-2-3-4-11-18-41-33(40)23-17-16-22-19-27-29(31(38)28(21-34)32(39)35-24-12-7-5-8-13-24)36-37(30(27)26(22)20-23)25-14-9-6-10-15-25/h5-10,12-17,20,28H,2-4,11,18-19H2,1H3,(H,35,39)