3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-[4-(1,4-dioxan-2-yl)phenyl]-1-(4-ethylpiperazino)isoquinoline Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5COCCO5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5COCCO5

InChI

InChI=1S/C25H29N3O2/c1-2-27-11-13-28(14-12-27)25-22-6-4-3-5-21(22)17-23(26-25)19-7-9-20(10-8-19)24-18-29-15-16-30-24/h3-10,17,24H,2,11-16,18H2,1H3