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

Systemtic Name: N-methoxy-N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Openeye Name: N-methoxy-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide CAS Name: N-methoxy-N-[4-oxo-2-(4-pyrimidinyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]benzamide IUPAC Name: N-methoxy-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Traditional Name: N-[4-keto-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]-N-methoxy-benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CON(C1CCCCN2C1=NC(=CC2=O)C3=NC=NC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CON(C1CCCCN2C1=NC(=CC2=O)C3=NC=NC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-29-26(21(28)15-7-3-2-4-8-15)18-9-5-6-12-25-19(27)13-17(24-20(18)25)16-10-11-22-14-23-16/h2-4,7-8,10-11,13-14,18H,5-6,9,12H2,1H3