3-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: 3-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-allyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-[(2-phenyl-4-quinazolinyl)amino]-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide IUPAC Name: 3-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-allyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide Formula: C20H17N7O MolecularWeight: 371.39528

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H17N7O/c1-2-12-21-19(28)18-25-20(27-26-18)24-17-14-10-6-7-11-15(14)22-16(23-17)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,21,28)(H2,22,23,24,25,26,27)