4-chloranyl-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-chloro-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]benzamide IUPAC Name: 4-chloro-N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-chloro-N-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]benzamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-28-19-12-8-16(9-13-19)20-5-3-2-4-14-25(20)21(26)15-24-22(27)17-6-10-18(23)11-7-17/h6-13,20H,2-5,14-15H2,1H3,(H,24,27)/t20-/m1/s1