tert-butyl 4-(4-aminophenyl)carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-aminophenyl)carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-aminobenzoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-aminophenyl)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-aminobenzoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-aminobenzoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-4-9-19(11-12-20)15(21)13-5-7-14(18)8-6-13/h5-8H,4,9-12,18H2,1-3H3