[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-(4-cyanoanilino)-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [2-(4-cyanoanilino)-2-keto-ethyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H24N5O4+ MolecularWeight: 422.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N5O4/c1-4-27(13-21(28)24-15-7-5-14(11-23)6-8-15)12-20-25-17-10-19(31-3)18(30-2)9-16(17)22(29)26-20/h5-10H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,29)/p+1