phenyl 4-(4-azanylbutyl)-1,4-diazepane-1-carboxylate

Systemtic Name: phenyl 4-(4-azanylbutyl)-1,4-diazepane-1-carboxylate Openeye Name: phenyl 4-(4-aminobutyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-aminobutyl)-1,4-diazepane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(4-aminobutyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-aminobutyl)-1,4-diazepane-1-carboxylic acid phenyl ester Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OC2=CC=CC=C2)CCCCN

Isomeric SMILES

C1CN(CCN(C1)C(=O)OC2=CC=CC=C2)CCCCN

InChI

InChI=1S/C16H25N3O2/c17-9-4-5-10-18-11-6-12-19(14-13-18)16(20)21-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,17H2