5-bromanyl-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide hydrate

Systemtic Name: 5-bromanyl-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide hydrate Openeye Name: 5-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide hydrate CAS Name: 5-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)-3-pyridinecarboxamide hydrate IUPAC Name: 5-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide hydrate Traditional Name: 5-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)nicotinamide hydrate Formula: C16H28BrN5O3 MolecularWeight: 418.32922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC(C1)NC(=O)C2=CC(=C(N=C2OC)NC)Br)C.O

Isomeric SMILES

CCN1CCN(CC(C1)NC(=O)C2=CC(=C(N=C2OC)NC)Br)C.O

InChI

InChI=1S/C16H26BrN5O2.H2O/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4;/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23);1H2