3-(2-chloranylpyridin-4-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline; 1-(2-chloranylpyridin-4-yl)isoquinoline

Systemtic Name: 3-(2-chloranylpyridin-4-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline; 1-(2-chloranylpyridin-4-yl)isoquinoline Openeye Name: 3-(2-chloro-4-pyridyl)-1-(4-ethylpiperazin-1-yl)isoquinoline; 1-(2-chloro-4-pyridyl)isoquinoline CAS Name: 3-(2-chloro-4-pyridinyl)-1-(4-ethyl-1-piperazinyl)isoquinoline; 1-(2-chloro-4-pyridinyl)isoquinoline IUPAC Name: 3-(2-chloropyridin-4-yl)-1-(4-ethylpiperazin-1-yl)isoquinoline; 1-(2-chloropyridin-4-yl)isoquinoline Traditional Name: 3-(2-chloro-4-pyridyl)-1-(4-ethylpiperazino)isoquinoline; 1-(2-chloro-4-pyridyl)isoquinoline Formula: C34H30Cl2N6 MolecularWeight: 593.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)Cl.C1=CC=C2C(=C1)C=CN=C2C3=CC(=NC=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=NC=C4)Cl.C1=CC=C2C(=C1)C=CN=C2C3=CC(=NC=C3)Cl

InChI

InChI=1S/C20H21ClN4.C14H9ClN2/c1-2-24-9-11-25(12-10-24)20-17-6-4-3-5-15(17)13-18(23-20)16-7-8-22-19(21)14-16;15-13-9-11(6-7-16-13)14-12-4-2-1-3-10(12)5-8-17-14/h3-8,13-14H,2,9-12H2,1H3;1-9H