methyl 3-but-2-ynyl-4-oxidanylidene-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: methyl 3-but-2-ynyl-4-oxidanylidene-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl 3-but-2-ynyl-4-oxo-5-phenacyl-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxylate CAS Name: 3-but-2-ynyl-4-oxo-5-phenacyl-2-(1-piperazinyl)-6-imidazo[4,5-c]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-but-2-ynyl-4-oxo-5-phenacyl-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: 3-but-2-ynyl-4-keto-5-phenacyl-2-piperazino-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=C(N(C2=O)CC(=O)C3=CC=CC=C3)C(=O)OC)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=C(N(C2=O)CC(=O)C3=CC=CC=C3)C(=O)OC)N=C1N4CCNCC4

InChI

InChI=1S/C24H25N5O4/c1-3-4-12-28-21-18(26-24(28)27-13-10-25-11-14-27)15-19(23(32)33-2)29(22(21)31)16-20(30)17-8-6-5-7-9-17/h5-9,15,25H,10-14,16H2,1-2H3