3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazino)isoquinoline Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O2/c1-2-24-9-11-25(12-10-24)22-18-6-4-3-5-16(18)13-19(23-22)17-7-8-20-21(14-17)27-15-26-20/h3-8,13-14H,2,9-12,15H2,1H3