(phenylmethyl) N-[3-(3-azanylpropyl)-1-butyl-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(3-azanylpropyl)-1-butyl-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: benzyl N-[3-(3-aminopropyl)-1-butyl-2-oxo-azepan-3-yl]carbamate CAS Name: N-[3-(3-aminopropyl)-1-butyl-2-oxo-3-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(3-aminopropyl)-1-butyl-2-oxoazepan-3-yl]carbamate Traditional Name: N-[3-(3-aminopropyl)-1-butyl-2-keto-azepan-3-yl]carbamic acid benzyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC(C1=O)(CCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCN1CCCCC(C1=O)(CCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H33N3O3/c1-2-3-15-24-16-8-7-12-21(19(24)25,13-9-14-22)23-20(26)27-17-18-10-5-4-6-11-18/h4-6,10-11H,2-3,7-9,12-17,22H2,1H3,(H,23,26)