methyl 4-(1-azanylpentan-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-(1-azanylpentan-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-(3-amino-1-ethyl-propyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-amino-1-ethyl-propyl)-1,4-diazepane-1-carboxylic acid methyl ester Formula: C12H25N3O2 MolecularWeight: 243.3458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN)N1CCCN(CC1)C(=O)OC

Isomeric SMILES

CCC(CCN)N1CCCN(CC1)C(=O)OC

InChI

InChI=1S/C12H25N3O2/c1-3-11(5-6-13)14-7-4-8-15(10-9-14)12(16)17-2/h11H,3-10,13H2,1-2H3