6-methyl-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: 6-methyl-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: 6-methyl-N-[4-oxo-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]pyridine-3-carboxamide CAS Name: 6-methyl-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-3-pyridinecarboxamide IUPAC Name: 6-methyl-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]-6-methyl-nicotinamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O2/c1-14-5-6-16(13-23-14)21(28)25-17-4-2-3-11-26-19(27)12-18(24-20(17)26)15-7-9-22-10-8-15/h5-10,12-13,17H,2-4,11H2,1H3,(H,25,28)