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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5(OCCO5)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5(OCCO5)C

InChI

InChI=1S/C25H29N3O2/c1-3-27-12-14-28(15-13-27)24-22-7-5-4-6-20(22)18-23(26-24)19-8-10-21(11-9-19)25(2)29-16-17-30-25/h4-11,18H,3,12-17H2,1-2H3