N-[2-[7-(quinolin-4-ylamino)heptoxy]phenyl]acridin-9-amine hydrate dihydrochloride

Systemtic Name: N-[2-[7-(quinolin-4-ylamino)heptoxy]phenyl]acridin-9-amine hydrate dihydrochloride Openeye Name: N-[2-[7-(4-quinolylamino)heptoxy]phenyl]acridin-9-amine hydrate dihydrochloride CAS Name: N-[2-[7-(4-quinolinylamino)heptoxy]phenyl]-9-acridinamine hydrate dihydrochloride IUPAC Name: N-[2-[7-(quinolin-4-ylamino)heptoxy]phenyl]acridin-9-amine hydrate dihydrochloride Traditional Name: acridin-9-yl-[2-[7-(4-quinolylamino)heptoxy]phenyl]amine hydrate dihydrochloride Formula: C35H38Cl2N4O2 MolecularWeight: 617.60782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NCCCCCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.O.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NCCCCCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.O.Cl.Cl

InChI

InChI=1S/C35H34N4O.2ClH.H2O/c1(2-12-23-36-30-22-24-37-29-17-7-4-14-26(29)30)3-13-25-40-34-21-11-10-20-33(34)39-35-27-15-5-8-18-31(27)38-32-19-9-6-16-28(32)35;;;/h4-11,14-22,24H,1-3,12-13,23,25H2,(H,36,37)(H,38,39);2*1H;1H2