4-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-N-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]benzamide

Systemtic Name: 4-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-N-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]benzamide Openeye Name: N-[4-(3-chloroanilino)quinazolin-6-yl]-4-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]benzamide CAS Name: N-[4-(3-chloroanilino)-6-quinazolinyl]-4-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]benzamide IUPAC Name: N-[4-(3-chloroanilino)quinazolin-6-yl]-4-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]benzamide Traditional Name: N-[4-(3-chloroanilino)quinazolin-6-yl]-4-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]benzamide Formula: C25H22Cl2N7O+ MolecularWeight: 507.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Cl)CCCl

Isomeric SMILES

C1C[N+](=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Cl)CCCl

InChI

InChI=1S/C25H21Cl2N7O/c26-10-11-33-12-13-34(32-33)21-7-4-17(5-8-21)25(35)31-20-6-9-23-22(15-20)24(29-16-28-23)30-19-3-1-2-18(27)14-19/h1-9,14-16,32H,10-13H2/p+1