N-[2-[3-(quinolin-4-ylamino)propoxy]phenyl]acridin-9-amine hydrate

Systemtic Name: N-[2-[3-(quinolin-4-ylamino)propoxy]phenyl]acridin-9-amine hydrate Openeye Name: N-[2-[3-(4-quinolylamino)propoxy]phenyl]acridin-9-amine hydrate CAS Name: N-[2-[3-(4-quinolinylamino)propoxy]phenyl]-9-acridinamine hydrate IUPAC Name: N-[2-[3-(quinolin-4-ylamino)propoxy]phenyl]acridin-9-amine hydrate Traditional Name: acridin-9-yl-[2-[3-(4-quinolylamino)propoxy]phenyl]amine hydrate Formula: C62H54N8O3 MolecularWeight: 959.14396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.C1=CC=C2C(=C1)C(=CC=N2)NCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.C1=CC=C2C(=C1)C(=CC=N2)NCCCOC3=CC=CC=C3NC4=C5C=CC=CC5=NC6=CC=CC=C64.O

InChI

InChI=1S/2C31H26N4O.H2O/c2*1-4-13-25-22(10-1)26(18-20-33-25)32-19-9-21-36-30-17-8-7-16-29(30)35-31-23-11-2-5-14-27(23)34-28-15-6-3-12-24(28)31;/h2*1-8,10-18,20H,9,19,21H2,(H,32,33)(H,34,35);1H2