N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl

InChI

InChI=1S/C24H27ClN4O3/c1-4-28-9-11-29(12-10-28)23-17-8-6-5-7-16(17)18(15-26-23)24(30)27-20-13-19(25)21(31-2)14-22(20)32-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,30)