[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H21N5O3/c1-17-26-20-15-18(9-10-21(20)28(17)19-7-3-2-4-8-19)23(30)31-16-22(29)27(13-5-11-24)14-6-12-25/h2-4,7-10,15H,5-6,13-14,16H2,1H3