3-nitro-5,6-bis(phenylmethyl)quinoline-2,4-diamine hydrochloride

Systemtic Name: 3-nitro-5,6-bis(phenylmethyl)quinoline-2,4-diamine hydrochloride Openeye Name: 5,6-dibenzyl-3-nitro-quinoline-2,4-diamine hydrochloride CAS Name: 3-nitro-5,6-bis(phenylmethyl)quinoline-2,4-diamine hydrochloride IUPAC Name: 5,6-dibenzyl-3-nitroquinoline-2,4-diamine hydrochloride Traditional Name: (2-amino-5,6-dibenzyl-3-nitro-4-quinolyl)amine hydrochloride Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=C(C=C2)N=C(C(=C3N)[N+](=O)[O-])N)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=C(C=C2)N=C(C(=C3N)[N+](=O)[O-])N)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H20N4O2.ClH/c24-21-20-18(14-16-9-5-2-6-10-16)17(13-15-7-3-1-4-8-15)11-12-19(20)26-23(25)22(21)27(28)29;/h1-12H,13-14H2,(H4,24,25,26);1H