2-[2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide

Systemtic Name: 2-[2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide Openeye Name: 2-[2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide CAS Name: 2-[2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-1-azepanyl]propanamide IUPAC Name: 2-[2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide Traditional Name: 2-[3-(hydrocinnamoylamino)-2-keto-azepan-1-yl]propionamide Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCCCC(C1=O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N)N1CCCCC(C1=O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3/c1-13(17(19)23)21-12-6-5-9-15(18(21)24)20-16(22)11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H2,19,23)(H,20,22)