N-[5-tert-butyl-2-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]pyridine-4-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]pyridine-4-carboxamide CAS Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-3-pyrazolyl]-4-pyridinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]pyridine-4-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazol-3-yl]isonicotinamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=NC=C2)C3=NC(=O)C4=C(N3)CCCC4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=NC=C2)C3=NC(=O)C4=C(N3)CCCC4

InChI

InChI=1S/C21H24N6O2/c1-21(2,3)16-12-17(24-18(28)13-8-10-22-11-9-13)27(26-16)20-23-15-7-5-4-6-14(15)19(29)25-20/h8-12H,4-7H2,1-3H3,(H,24,28)(H,23,25,29)