prop-2-ynyl 3-methyl-3-[4-(5-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-ynyl 3-methyl-3-[4-(5-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate Openeye Name: prop-2-ynyl 3-methyl-3-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]pyrrolidine-1-carboxylate CAS Name: 3-methyl-3-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-1-pyrrolidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-methyl-3-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[4-(2-keto-5-methyl-3H-benzimidazol-1-yl)piperidino]-3-methyl-pyrrolidine-1-carboxylic acid propargyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)N2)C3CCN(CC3)C4(CCN(C4)C(=O)OCC#C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)N2)C3CCN(CC3)C4(CCN(C4)C(=O)OCC#C)C

InChI

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