N-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)N4C=CC=N4

InChI

InChI=1S/C22H20N6O3/c1-15(28-11-5-10-24-28)21(30)26-17-7-4-6-16(12-17)25-20(29)13-27-14-23-19-9-3-2-8-18(19)22(27)31/h2-12,14-15H,13H2,1H3,(H,25,29)(H,26,30)