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

Systemtic Name: N-[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-methoxy-benzamide Openeye Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methoxy-benzamide CAS Name: N-[3-chloro-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methoxybenzamide Traditional Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methoxy-benzamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-27-18-6-3-2-5-16(18)19(25)23-14-7-8-15(17(21)13-14)20(26)24-11-4-9-22-10-12-24/h2-3,5-8,13,22H,4,9-12H2,1H3,(H,23,25)