[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-ethyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-ethyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-ethyl-[2-keto-2-(p-anisidino)ethyl]ammonium Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=CC=CC=C2C(=O)N1CC#N)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC1=NC2=CC=CC=C2C(=O)N1CC#N)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N5O3/c1-3-26(15-21(28)24-16-8-10-17(30-2)11-9-16)14-20-25-19-7-5-4-6-18(19)22(29)27(20)13-12-23/h4-11H,3,13-15H2,1-2H3,(H,24,28)/p+1