ethyl 1-[[(2E)-2-(6-cyano-1,2-dihydroindazol-3-ylidene)indol-4-yl]methyl]-3-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: ethyl 1-[[(2E)-2-(6-cyano-1,2-dihydroindazol-3-ylidene)indol-4-yl]methyl]-3-oxidanylidene-piperazine-2-carboxylate Openeye Name: ethyl 1-[[(2E)-2-(6-cyano-1,2-dihydroindazol-3-ylidene)indol-4-yl]methyl]-3-oxo-piperazine-2-carboxylate CAS Name: 1-[[(2E)-2-(6-cyano-1,2-dihydroindazol-3-ylidene)-4-indolyl]methyl]-3-oxo-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(2E)-2-(6-cyano-1,2-dihydroindazol-3-ylidene)indol-4-yl]methyl]-3-oxopiperazine-2-carboxylate Traditional Name: 1-[[(2E)-2-(6-cyanoindazolin-3-ylidene)indol-4-yl]methyl]-3-keto-piperazine-2-carboxylic acid ethyl ester Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NCCN1CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

CCOC(=O)C1C(=O)NCCN1CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C24H22N6O3/c1-2-33-24(32)22-23(31)26-8-9-30(22)13-15-4-3-5-18-17(15)11-20(27-18)21-16-7-6-14(12-25)10-19(16)28-29-21/h3-7,10-11,22,28-29H,2,8-9,13H2,1H3,(H,26,31)/b21-20+