5-chloranyl-2-methoxy-N-(4-oxidanylidene-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-(4-oxidanylidene-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Openeye Name: 5-chloro-2-methoxy-N-[4-oxo-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]benzamide CAS Name: 5-chloro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide IUPAC Name: 5-chloro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Traditional Name: 5-chloro-N-[4-keto-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]-2-methoxy-benzamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-30-19-6-5-15(23)12-16(19)22(29)26-17-4-2-3-11-27-20(28)13-18(25-21(17)27)14-7-9-24-10-8-14/h5-10,12-13,17H,2-4,11H2,1H3,(H,26,29)