methyl 1-[5-(oxidanylidenemethylidene)-6-(propan-2-ylamino)-1-pyridin-2-yl-piperazin-2-yl]indole-2-carboxylate

Systemtic Name: methyl 1-[5-(oxidanylidenemethylidene)-6-(propan-2-ylamino)-1-pyridin-2-yl-piperazin-2-yl]indole-2-carboxylate Openeye Name: methyl 1-[6-(isopropylamino)-5-(oxomethylene)-1-(2-pyridyl)piperazin-2-yl]indole-2-carboxylate CAS Name: 1-[5-(oxomethylidene)-6-(propan-2-ylamino)-1-(2-pyridinyl)-2-piperazinyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(oxomethylidene)-6-(propan-2-ylamino)-1-pyridin-2-ylpiperazin-2-yl]indole-2-carboxylate Traditional Name: 1-[6-(isopropylamino)-5-(ketomethylene)-1-(2-pyridyl)piperazin-2-yl]indole-2-carboxylic acid methyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(=C=O)NCC(N1C2=CC=CC=N2)N3C4=CC=CC=C4C=C3C(=O)OC

Isomeric SMILES

CC(C)NC1C(=C=O)NCC(N1C2=CC=CC=N2)N3C4=CC=CC=C4C=C3C(=O)OC

InChI

InChI=1S/C23H25N5O3/c1-15(2)26-22-17(14-29)25-13-21(28(22)20-10-6-7-11-24-20)27-18-9-5-4-8-16(18)12-19(27)23(30)31-3/h4-12,15,21-22,25-26H,13H2,1-3H3