2-bromanyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-5-methoxy-benzamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C21H24BrN3O3/c1-14-4-5-15(21(27)25-10-3-8-23-9-11-25)12-19(14)24-20(26)17-13-16(28-2)6-7-18(17)22/h4-7,12-13,23H,3,8-11H2,1-2H3,(H,24,26)