N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-chloro-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)Cl)OC

InChI

InChI=1S/C21H24ClN3O4/c1-28-18-7-5-14(13-19(18)29-2)20(26)24-17-12-15(4-6-16(17)22)21(27)25-10-3-8-23-9-11-25/h4-7,12-13,23H,3,8-11H2,1-2H3,(H,24,26)