2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate

Systemtic Name: 2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate Openeye Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-5-carboxylic acid 2-dimethylaminoethyl ester Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=CC2=C1CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=CC2=C1CC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N5O4/c1-35(2)16-17-40-31(39)23-15-9-14-22-24(23)18-25-27(34-36(28(22)25)21-12-7-4-8-13-21)29(37)26(19-32)30(38)33-20-10-5-3-6-11-20/h3-15,26H,16-18H2,1-2H3,(H,33,38)