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

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

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=C3)C=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=C3)C=CC(=C4)C#N

InChI

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