N-(2-chloranyl-4-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O4/c1-29-17-9-6-15(7-10-17)20-5-3-2-4-12-24(20)14-21(26)23-19-11-8-16(25(27)28)13-18(19)22/h6-11,13,20H,2-5,12,14H2,1H3,(H,23,26)/t20-/m1/s1