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

Systemtic Name: methyl 4-[4-[3-(2-azanylethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-[3-(2-aminoethyl)-2-oxo-benzimidazol-1-yl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[3-(2-aminoethyl)-2-oxo-1-benzimidazolyl]-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-(2-aminoethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(2-aminoethyl)-2-keto-benzimidazol-1-yl]piperidino]piperidine-1-carboxylic acid methyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-29-21(28)24-13-6-16(7-14-24)23-11-8-17(9-12-23)26-19-5-3-2-4-18(19)25(15-10-22)20(26)27/h2-5,16-17H,6-15,22H2,1H3