3-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one

Systemtic Name: 3-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one Openeye Name: 3-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one CAS Name: 3-[3,5-dimethyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one IUPAC Name: 3-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one Traditional Name: 3-[3,5-dimethyl-4-[2-(4-methylpiperazino)ethoxy]phenyl]-8,8-dimethoxy-2,8a-dihydroisoquinolin-1-one Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCN2CCN(CC2)C)C)C3=CC4=CC=CC(C4C(=O)N3)(OC)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCCN2CCN(CC2)C)C)C3=CC4=CC=CC(C4C(=O)N3)(OC)OC

InChI

InChI=1S/C26H35N3O4/c1-18-15-21(16-19(2)24(18)33-14-13-29-11-9-28(3)10-12-29)22-17-20-7-6-8-26(31-4,32-5)23(20)25(30)27-22/h6-8,15-17,23H,9-14H2,1-5H3,(H,27,30)