methyl (3E)-3-[5-[(4-ethanoylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carboxylate

Systemtic Name: methyl (3E)-3-[5-[(4-ethanoylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carboxylate Openeye Name: methyl (3E)-3-[5-[(4-acetylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carboxylate CAS Name: (3E)-3-[5-[(4-acetyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carboxylic acid methyl ester IUPAC Name: methyl (3E)-3-[5-[(4-acetylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carboxylate Traditional Name: (3E)-3-[5-[(4-acetylpiperazino)methyl]indol-2-ylidene]indazoline-6-carboxylic acid methyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=CC(=C4C5=C(C=C(C=C5)C(=O)OC)NN4)N=C3C=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C(=O)OC)NN4)/N=C3C=C2

InChI

InChI=1S/C24H25N5O3/c1-15(30)29-9-7-28(8-10-29)14-16-3-6-20-18(11-16)13-22(25-20)23-19-5-4-17(24(31)32-2)12-21(19)26-27-23/h3-6,11-13,26-27H,7-10,14H2,1-2H3/b23-22+