N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H29ClN4O3/c1-19-16-24(27(37-3)17-23(19)30)32-29(35)22-18-31-28(21-9-5-4-8-20(21)22)34-14-12-33(13-15-34)25-10-6-7-11-26(25)36-2/h4-11,16-18H,12-15H2,1-3H3,(H,32,35)