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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C23H25ClN4O2/c1-3-27-10-12-28(13-11-27)22-18-7-5-4-6-17(18)19(15-25-22)23(29)26-20-14-16(24)8-9-21(20)30-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)