methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)benzimidazole-5-carboxylate Openeye Name: methyl 1-benzyl-2-[2-[3-(dimethylamino)propylamino]-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[2-[3-(dimethylamino)propylamino]-2-keto-ethyl]benzimidazole-5-carboxylic acid methyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=O)OC

Isomeric SMILES

CN(C)CCCNC(=O)CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C23H28N4O3/c1-26(2)13-7-12-24-22(28)15-21-25-19-14-18(23(29)30-3)10-11-20(19)27(21)16-17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,24,28)