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

Systemtic Name: N,N-diethyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N,N-diethyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide CAS Name: N,N-diethyl-3-[(2-phenyl-4-quinazolinyl)amino]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N,N-diethyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N,N-diethyl-3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazole-5-carboxamide Formula: C21H21N7O MolecularWeight: 387.43774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O/c1-3-28(4-2)20(29)19-25-21(27-26-19)24-18-15-12-8-9-13-16(15)22-17(23-18)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25,26,27)