1-(4-ethylpiperazin-1-yl)-3-[5-(3-phenylmethoxypropyl)pyridin-2-yl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[5-(3-phenylmethoxypropyl)pyridin-2-yl]isoquinoline Openeye Name: 3-[5-(3-benzyloxypropyl)-2-pyridyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[5-(3-phenylmethoxypropyl)-2-pyridinyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[5-(3-phenylmethoxypropyl)pyridin-2-yl]isoquinoline Traditional Name: 3-[5-(3-benzoxypropyl)-2-pyridyl]-1-(4-ethylpiperazino)isoquinoline Formula: C30H34N4O MolecularWeight: 466.61716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=NC=C(C=C4)CCCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=NC=C(C=C4)CCCOCC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O/c1-2-33-16-18-34(19-17-33)30-27-13-7-6-12-26(27)21-29(32-30)28-15-14-24(22-31-28)11-8-20-35-23-25-9-4-3-5-10-25/h3-7,9-10,12-15,21-22H,2,8,11,16-20,23H2,1H3