tert-butyl 4-[(3-methoxyphenyl)carbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-methoxyphenyl)carbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(3-methoxyphenyl)carbamoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(3-methoxyanilino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-methoxyphenyl)carbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(3-methoxyphenyl)carbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)21-10-6-9-20(11-12-21)16(22)19-14-7-5-8-15(13-14)24-4/h5,7-8,13H,6,9-12H2,1-4H3,(H,19,22)