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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-(2-methoxyethyl)-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-(2-methoxyethyl)ammonium Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-30-13-12-27(14-20-25-19-5-3-2-4-18(19)22(29)26-20)15-21(28)24-17-8-6-16(7-9-17)10-11-23/h2-9H,10,12-15H2,1H3,(H,24,28)(H,25,26,29)/p+1