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

Systemtic Name: methyl 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxylate CAS Name: 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-(1-piperazinyl)-6-imidazo[4,5-c]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: 3-but-2-ynyl-5-(2-cyanobenzyl)-4-keto-2-piperazino-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=C(N(C2=O)CC3=CC=CC=C3C#N)C(=O)OC)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=C(N(C2=O)CC3=CC=CC=C3C#N)C(=O)OC)N=C1N4CCNCC4

InChI

InChI=1S/C24H24N6O3/c1-3-4-11-29-21-19(27-24(29)28-12-9-26-10-13-28)14-20(23(32)33-2)30(22(21)31)16-18-8-6-5-7-17(18)15-25/h5-8,14,26H,9-13,16H2,1-2H3