2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-6-phenoxy-1H-quinolin-4-one hydrochloride

Systemtic Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-6-phenoxy-1H-quinolin-4-one hydrochloride Openeye Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-6-phenoxy-1H-quinolin-4-one hydrochloride CAS Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-6-phenoxy-1H-quinolin-4-one hydrochloride IUPAC Name: 2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-6-phenoxy-1H-quinolin-4-one hydrochloride Traditional Name: 2-[3-[(3,4-dichlorobenzyl)amino]propylamino]-6-phenoxy-4-quinolone hydrochloride Formula: C25H24Cl3N3O2 MolecularWeight: 504.83596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=CC3=O)NCCCNCC4=CC(=C(C=C4)Cl)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=CC3=O)NCCCNCC4=CC(=C(C=C4)Cl)Cl.Cl

InChI

InChI=1S/C25H23Cl2N3O2.ClH/c26-21-9-7-17(13-22(21)27)16-28-11-4-12-29-25-15-24(31)20-14-19(8-10-23(20)30-25)32-18-5-2-1-3-6-18;/h1-3,5-10,13-15,28H,4,11-12,16H2,(H2,29,30,31);1H