(3-chloranyl-4-methoxy-phenyl)methyl-cyano-[2-(4-ethoxy-4-oxidanylidene-butyl)quinazolin-4-yl]-(methylamino)azanium

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-cyano-[2-(4-ethoxy-4-oxidanylidene-butyl)quinazolin-4-yl]-(methylamino)azanium Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-cyano-[2-(4-ethoxy-4-oxo-butyl)quinazolin-4-yl]-(methylamino)ammonium CAS Name: (3-chloro-4-methoxyphenyl)methyl-cyano-[2-(4-ethoxy-4-oxobutyl)-4-quinazolinyl]-(methylamino)ammonium IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-cyano-[2-(4-ethoxy-4-oxobutyl)quinazolin-4-yl]-(methylamino)azanium Traditional Name: (3-chloro-4-methoxy-benzyl)-cyano-[2-(4-ethoxy-4-keto-butyl)quinazolin-4-yl]-(methylamino)ammonium Formula: C24H27ClN5O3+ MolecularWeight: 468.95588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=NC2=CC=CC=C2C(=N1)[N+](CC3=CC(=C(C=C3)OC)Cl)(C#N)NC

Isomeric SMILES

CCOC(=O)CCCC1=NC2=CC=CC=C2C(=N1)[N+](CC3=CC(=C(C=C3)OC)Cl)(C#N)NC

InChI

InChI=1S/C24H27ClN5O3/c1-4-33-23(31)11-7-10-22-28-20-9-6-5-8-18(20)24(29-22)30(16-26,27-2)15-17-12-13-21(32-3)19(25)14-17/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3/q+1