N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide CAS Name: N-[4-[4-(2,4-dichlorophenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[4-(2,4-dichlorophenyl)piperazino]butyl]isoquinoline-3-carboxamide Formula: C24H26Cl2N4O MolecularWeight: 457.39544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)