tert-butyl 4-[4-azanyl-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-azanyl-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-amino-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-amino-3-(ethylamino)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H30N4O2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C18H30N4O2/c1-5-20-16-13-14(7-8-15(16)19)21-9-6-10-22(12-11-21)17(23)24-18(2,3)4/h7-8,13,20H,5-6,9-12,19H2,1-4H3