N,N-diethyl-4-[isoquinolin-5-yl(piperazin-1-yl)methyl]benzamide

Systemtic Name: N,N-diethyl-4-[isoquinolin-5-yl(piperazin-1-yl)methyl]benzamide Openeye Name: N,N-diethyl-4-[5-isoquinolyl(piperazin-1-yl)methyl]benzamide CAS Name: N,N-diethyl-4-[5-isoquinolinyl(1-piperazinyl)methyl]benzamide IUPAC Name: N,N-diethyl-4-[isoquinolin-5-yl(piperazin-1-yl)methyl]benzamide Traditional Name: N,N-diethyl-4-[5-isoquinolyl(piperazino)methyl]benzamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2C=CN=C3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2C=CN=C3)N4CCNCC4

InChI

InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/h5-13,18,24,26H,3-4,14-17H2,1-2H3