1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-4-ylpropoxy)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-4-ylpropoxy)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-[3-(4-pyridyl)propoxy]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenyl-4-(3-pyridin-4-ylpropoxy)isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-4-ylpropoxy)isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-4-[3-(4-pyridyl)propoxy]isoquinoline Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCCC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCCC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O/c1-2-32-18-20-33(21-19-32)29-26-13-7-6-12-25(26)28(27(31-29)24-10-4-3-5-11-24)34-22-8-9-23-14-16-30-17-15-23/h3-7,10-17H,2,8-9,18-22H2,1H3