1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-prop-2-enyl-isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-prop-2-enyl-isoquinoline Openeye Name: 4-allyl-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(3-methoxyphenyl)-4-prop-2-enylisoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-prop-2-enylisoquinoline Traditional Name: 4-allyl-1-(4-ethylpiperazino)-3-(3-methoxyphenyl)isoquinoline Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)CC=C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)CC=C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H29N3O/c1-4-9-22-21-12-6-7-13-23(21)25(28-16-14-27(5-2)15-17-28)26-24(22)19-10-8-11-20(18-19)29-3/h4,6-8,10-13,18H,1,5,9,14-17H2,2-3H3