N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H21N5O2S MolecularWeight: 455.53154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-29(16-22-26-20-11-6-5-10-18(20)24(31)27-22)25(32)19-15-30(14-17-8-3-2-4-9-17)28-23(19)21-12-7-13-33-21/h2-13,15H,14,16H2,1H3,(H,26,27,31)