4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-propyl-benzamide

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-propyl-benzamide Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-N-propyl-benzamide CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-N-propylbenzamide IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-propylbenzamide Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]-N-propyl-benzamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

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