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

Systemtic Name: 2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylate Openeye Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=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

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