4-(azepan-1-ylmethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(4-chloro-2,5-dimethoxy-phenyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-(4-chloro-2,5-dimethoxyphenyl)benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(4-chloro-2,5-dimethoxyphenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-(4-chloro-2,5-dimethoxy-phenyl)benzamide Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)OC)Cl

InChI

InChI=1S/C22H27ClN2O3/c1-27-20-14-19(21(28-2)13-18(20)23)24-22(26)17-9-7-16(8-10-17)15-25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,26)