N-[(4-dimethylaminophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-phenoxy-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-phenoxyacetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-phenoxyacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-[(3S)-2-ketoazepan-3-yl]-2-phenoxy-acetamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-25(2)19-13-11-18(12-14-19)16-26(21-10-6-7-15-24-23(21)28)22(27)17-29-20-8-4-3-5-9-20/h3-5,8-9,11-14,21H,6-7,10,15-17H2,1-2H3,(H,24,28)/t21-/m0/s1