tert-butyl 4-[4-[(3-cyano-4-methyl-naphthalen-2-yl)amino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3-cyano-4-methyl-naphthalen-2-yl)amino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-cyano-4-methyl-2-naphthyl)amino]-2-methyl-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(3-cyano-4-methyl-2-naphthalenyl)amino]-2-methylphenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-cyano-4-methylnaphthalen-2-yl)amino]-2-methylphenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(3-cyano-4-methyl-2-naphthyl)amino]-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)NC2=CC3=CC=CC=C3C(=C2C#N)C)N4CCCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC3=CC=CC=C3C(=C2C#N)C)N4CCCN(CC4)C(=O)OC(C)(C)C

InChI

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