tert-butyl 4-[3-(4-cyanonaphthalen-1-yl)-7-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-cyanonaphthalen-1-yl)-7-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-cyano-1-naphthyl)-7-[(4-methoxy-4-oxo-butyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(4-cyano-1-naphthalenyl)-7-[(4-methoxy-4-oxobutyl)amino]-2-methyl-5-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-cyanonaphthalen-1-yl)-7-[(4-methoxy-4-oxobutyl)amino]-2-methylbenzimidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-cyano-1-naphthyl)-7-[(4-keto-4-methoxy-butyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H39N5O4 MolecularWeight: 581.70456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C4=CC=CC=C43)C#N)C=C(C=C2NCCCC(=O)OC)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C4=CC=CC=C43)C#N)C=C(C=C2NCCCC(=O)OC)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H39N5O4/c1-22-37-32-28(36-16-8-11-31(40)42-5)19-25(23-14-17-38(18-15-23)33(41)43-34(2,3)4)20-30(32)39(22)29-13-12-24(21-35)26-9-6-7-10-27(26)29/h6-7,9-10,12-13,19-20,23,36H,8,11,14-18H2,1-5H3