2-methylpropyl 4-(1-azanylpentan-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-(1-azanylpentan-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: isobutyl 4-(3-amino-1-ethyl-propyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-amino-1-ethyl-propyl)-1,4-diazepane-1-carboxylic acid isobutyl ester Formula: C15H31N3O2 MolecularWeight: 285.42554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N3O2/c1-4-14(6-7-16)17-8-5-9-18(11-10-17)15(19)20-12-13(2)3/h13-14H,4-12,16H2,1-3H3