6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)-1-piperazinyl]-3-methyl-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methylisoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(3-methoxyphenyl)piperazino]-3-methyl-isoquinoline-4-carbonitrile Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C(=N1)N3CCNC(C3)C4=CC(=CC=C4)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2C(=N1)N3CCNC(C3)C4=CC(=CC=C4)OC)OC)OC)C#N

InChI

InChI=1S/C24H26N4O3/c1-15-20(13-25)18-11-22(30-3)23(31-4)12-19(18)24(27-15)28-9-8-26-21(14-28)16-6-5-7-17(10-16)29-2/h5-7,10-12,21,26H,8-9,14H2,1-4H3