2-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-nicotinamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O3/c1-29-21-15(5-4-9-23-21)20(28)25-16-6-2-3-12-26-18(27)13-17(24-19(16)26)14-7-10-22-11-8-14/h4-5,7-11,13,16H,2-3,6,12H2,1H3,(H,25,28)