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

Systemtic Name: N-(4-oxidanylidene-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-[4-oxo-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-[4-keto-2-(4-pyridyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]coumaran-7-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=O)C=C(N=C2C(C1)NC(=O)C3=C4C(=CC=C3)CCO4)C5=CC=NC=C5

Isomeric SMILES

C1CCN2C(=O)C=C(N=C2C(C1)NC(=O)C3=C4C(=CC=C3)CCO4)C5=CC=NC=C5

InChI

InChI=1S/C23H22N4O3/c28-20-14-19(15-7-10-24-11-8-15)25-22-18(6-1-2-12-27(20)22)26-23(29)17-5-3-4-16-9-13-30-21(16)17/h3-5,7-8,10-11,14,18H,1-2,6,9,12-13H2,(H,26,29)