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

Systemtic Name: tert-butyl 4-[3-(4-cyanonaphthalen-1-yl)-7-[(3-methoxy-2-methyl-3-oxidanylidene-propyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-cyano-1-naphthyl)-7-[(3-methoxy-2-methyl-3-oxo-propyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(4-cyano-1-naphthalenyl)-7-[(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methyl-5-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-cyanonaphthalen-1-yl)-7-[(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylbenzimidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-cyano-1-naphthyl)-7-[(3-keto-3-methoxy-2-methyl-propyl)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=C2NCC(C)C(=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=C2NCC(C)C(=O)OC)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H39N5O4/c1-21(32(40)42-6)20-36-28-17-25(23-13-15-38(16-14-23)33(41)43-34(3,4)5)18-30-31(28)37-22(2)39(30)29-12-11-24(19-35)26-9-7-8-10-27(26)29/h7-12,17-18,21,23,36H,13-16,20H2,1-6H3