12-oxidanylidene-N-(2-pyrazol-1-ylpyridin-3-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(2-pyrazol-1-ylpyridin-3-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(2-pyrazol-1-yl-3-pyridyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-(1-pyrazolyl)-3-pyridinyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(2-pyrazol-1-ylpyridin-3-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-pyrazol-1-yl-3-pyridyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(N=CC=C4)N5C=CC=N5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(N=CC=C4)N5C=CC=N5)C(=O)N2CC1

InChI

InChI=1S/C22H20N6O2/c29-21(26-17-6-4-10-23-20(17)28-13-5-11-24-28)15-8-9-16-18(14-15)25-19-7-2-1-3-12-27(19)22(16)30/h4-6,8-11,13-14H,1-3,7,12H2,(H,26,29)