N-(4-bromanyl-2-methyl-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C23H25BrN4O MolecularWeight: 453.3748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O/c1-3-27-10-12-28(13-11-27)22-19-7-5-4-6-18(19)20(15-25-22)23(29)26-21-9-8-17(24)14-16(21)2/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)