(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(N-cyclohexylanilino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(N-cyclohexylanilino)-2-oxoethyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(N-cyclohexylanilino)-2-oxoethyl]-ethylazanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[2-(N-cyclohexylanilino)-2-keto-ethyl]-ethyl-ammonium Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O2/c1-2-29(16-23-27-22-15-18(26)13-14-21(22)25(32)28-23)17-24(31)30(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,2,4,7-8,11-12,16-17H2,1H3,(H,27,28,32)/p+1