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

Systemtic Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-(ethoxycarbonylcarbamoyl)amino]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(7-cyano-2-naphthyl)methyl-(ethoxycarbonylcarbamoyl)amino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(7-cyano-2-naphthalenyl)methyl-[(ethoxycarbonylamino)-oxomethyl]amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-(ethoxycarbonylcarbamoyl)amino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[carbethoxycarbamoyl-[(7-cyano-2-naphthyl)methyl]amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C32H37N5O5 MolecularWeight: 571.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C#N)C3=CC=C(C=C3)N4CCCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)NC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C#N)C3=CC=C(C=C3)N4CCCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H37N5O5/c1-5-41-30(39)34-29(38)37(22-24-8-10-25-9-7-23(21-33)19-26(25)20-24)28-13-11-27(12-14-28)35-15-6-16-36(18-17-35)31(40)42-32(2,3)4/h7-14,19-20H,5-6,15-18,22H2,1-4H3,(H,34,38,39)