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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(4-cyanoanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(4-cyanoanilino)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H20N5O2+ MolecularWeight: 362.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c1-2-25(13-19(26)22-15-9-7-14(11-21)8-10-15)12-18-23-17-6-4-3-5-16(17)20(27)24-18/h3-10H,2,12-13H2,1H3,(H,22,26)(H,23,24,27)/p+1