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

Systemtic Name: tert-butyl 4-[4-[(3-cyano-4-methyl-naphthalen-2-yl)amino]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-cyano-4-methyl-2-naphthyl)amino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(3-cyano-4-methyl-2-naphthalenyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-cyano-4-methylnaphthalen-2-yl)amino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(3-cyano-4-methyl-2-naphthyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)NC3=CC=C(C=C3)N4CCCN(CC4)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)NC3=CC=C(C=C3)N4CCCN(CC4)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C28H32N4O2/c1-20-24-9-6-5-8-21(24)18-26(25(20)19-29)30-22-10-12-23(13-11-22)31-14-7-15-32(17-16-31)27(33)34-28(2,3)4/h5-6,8-13,18,30H,7,14-17H2,1-4H3