tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methylamino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methylamino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(7-cyano-2-naphthyl)methylamino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(7-cyano-2-naphthalenyl)methylamino]-2-methylphenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methylamino]-2-methylphenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(7-cyano-2-naphthyl)methylamino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CC3=C(C=C2)C=CC(=C3)C#N)N4CCCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CC3=C(C=C2)C=CC(=C3)C#N)N4CCCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N4O2/c1-21-16-26(31-20-23-7-9-24-8-6-22(19-30)17-25(24)18-23)10-11-27(21)32-12-5-13-33(15-14-32)28(34)35-29(2,3)4/h6-11,16-18,31H,5,12-15,20H2,1-4H3