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

Systemtic Name: tert-butyl 4-[2-chloranyl-4-[(7-cyanonaphthalen-2-yl)methylamino]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-4-[(7-cyano-2-naphthyl)methylamino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-chloro-4-[(7-cyano-2-naphthalenyl)methylamino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-4-[(7-cyanonaphthalen-2-yl)methylamino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-chloro-4-[(7-cyano-2-naphthyl)methylamino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN4O2/c1-28(2,3)35-27(34)33-12-4-11-32(13-14-33)26-10-9-24(17-25(26)29)31-19-21-6-8-22-7-5-20(18-30)15-23(22)16-21/h5-10,15-17,31H,4,11-14,19H2,1-3H3