N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-N-propyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-N-propyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyl-triazole-4-carboxamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-N-propyl-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyltriazole-4-carboxamide Traditional Name: 1-benzyl-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-N-propyl-triazole-4-carboxamide Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN6O2/c1-2-10-28(14-20-24-18-11-16(23)8-9-17(18)21(30)25-20)22(31)19-13-29(27-26-19)12-15-6-4-3-5-7-15/h3-9,11,13H,2,10,12,14H2,1H3,(H,24,25,30)