3-azanyl-N-[(4-chlorophenyl)-[4-oxidanylidene-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propanamide

Systemtic Name: 3-azanyl-N-[(4-chlorophenyl)-[4-oxidanylidene-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propanamide Openeye Name: 3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propanamide CAS Name: 3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propanamide IUPAC Name: 3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propanamide Traditional Name: 3-amino-N-[(4-chlorophenyl)-[4-keto-6-(1H-pyrazol-4-yl)-1H-quinazolin-2-yl]methyl]propionamide Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=NC(=O)C3=C(N2)C=CC(=C3)C4=CNN=C4)NC(=O)CCN)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=NC(=O)C3=C(N2)C=CC(=C3)C4=CNN=C4)NC(=O)CCN)Cl

InChI

InChI=1S/C21H19ClN6O2/c22-15-4-1-12(2-5-15)19(27-18(29)7-8-23)20-26-17-6-3-13(14-10-24-25-11-14)9-16(17)21(30)28-20/h1-6,9-11,19H,7-8,23H2,(H,24,25)(H,27,29)(H,26,28,30)