2,6-dimethoxy-N-(4-oxidanylidene-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)pyridine-3-carboxamide

Systemtic Name: 2,6-dimethoxy-N-(4-oxidanylidene-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)pyridine-3-carboxamide Openeye Name: 2,6-dimethoxy-N-[4-oxo-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]pyridine-3-carboxamide CAS Name: 2,6-dimethoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-3-pyridinecarboxamide IUPAC Name: 2,6-dimethoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)pyridine-3-carboxamide Traditional Name: N-[4-keto-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]-2,6-dimethoxy-nicotinamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4)OC

InChI

InChI=1S/C22H23N5O4/c1-30-18-7-6-15(22(26-18)31-2)21(29)25-16-5-3-4-12-27-19(28)13-17(24-20(16)27)14-8-10-23-11-9-14/h6-11,13,16H,3-5,12H2,1-2H3,(H,25,29)