N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(3-chlorobenzyl)pyrazol-3-yl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c22-16-5-3-4-15(12-16)13-27-19(8-10-24-27)25-20(28)9-11-26-14-23-18-7-2-1-6-17(18)21(26)29/h1-8,10,12,14H,9,11,13H2,(H,25,28)