tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(7-cyano-2-naphthyl)methyl-(3-methoxy-3-oxo-propanoyl)amino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(7-cyano-2-naphthalenyl)methyl-(3-methoxy-1,3-dioxopropyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-(3-methoxy-3-oxopropanoyl)amino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(7-cyano-2-naphthyl)methyl-(3-keto-3-methoxy-propanoyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C32H36N4O5 MolecularWeight: 556.65204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C#N)C(=O)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C#N)C(=O)CC(=O)OC

InChI

InChI=1S/C32H36N4O5/c1-32(2,3)41-31(39)35-15-5-14-34(16-17-35)27-10-12-28(13-11-27)36(29(37)20-30(38)40-4)22-24-7-9-25-8-6-23(21-33)18-26(25)19-24/h6-13,18-19H,5,14-17,20,22H2,1-4H3