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

Systemtic Name: 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxamide Openeye Name: 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperazin-1-yl-imidazo[4,5-c]pyridine-6-carboxamide CAS Name: 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-(1-piperazinyl)-6-imidazo[4,5-c]pyridinecarboxamide IUPAC Name: 3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide Traditional Name: 3-but-2-ynyl-5-(2-cyanobenzyl)-4-keto-2-piperazino-imidazo[4,5-c]pyridine-6-carboxamide Formula: C23H23N7O2 MolecularWeight: 429.47442

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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)N)N=C1N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7O2/c1-2-3-10-29-20-18(27-23(29)28-11-8-26-9-12-28)13-19(21(25)31)30(22(20)32)15-17-7-5-4-6-16(17)14-24/h4-7,13,26H,8-12,15H2,1H3,(H2,25,31)