methyl 4-[4-(2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(2-oxo-3-prop-2-ynyl-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(2-oxo-3-prop-2-ynyl-1-benzimidazolyl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-keto-3-propargyl-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC#C

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC#C

InChI

InChI=1S/C22H28N4O3/c1-3-12-25-19-6-4-5-7-20(19)26(21(25)27)18-10-13-23(14-11-18)17-8-15-24(16-9-17)22(28)29-2/h1,4-7,17-18H,8-16H2,2H3