5-bromanyl-N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]nicotinamide Formula: C19H21BrN4O2 MolecularWeight: 417.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O2/c1-13-9-14(19(26)24-7-2-5-21-6-8-24)3-4-17(13)23-18(25)15-10-16(20)12-22-11-15/h3-4,9-12,21H,2,5-8H2,1H3,(H,23,25)