N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]biphenylene-2-carboxamide

Systemtic Name: N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]biphenylene-2-carboxamide Openeye Name: N-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]biphenylene-2-carboxamide CAS Name: N-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-2-biphenylenecarboxamide IUPAC Name: N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]biphenylene-2-carboxamide Traditional Name: N-[4-[4-(1-isoquinolyl)piperazino]butyl]biphenylene-2-carboxamide Formula: C30H30N4O MolecularWeight: 462.5854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C43)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C43)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C30H30N4O/c35-30(23-11-12-27-25-9-3-4-10-26(25)28(27)21-23)32-14-5-6-16-33-17-19-34(20-18-33)29-24-8-2-1-7-22(24)13-15-31-29/h1-4,7-13,15,21H,5-6,14,16-20H2,(H,32,35)