3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-[3-(4-propyl-1-piperazinyl)propyl]propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-[3-(4-propylpiperazino)propyl]propionamide Formula: C24H35N5O3 MolecularWeight: 441.5664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C24H35N5O3/c1-2-12-27-15-17-28(18-16-27)13-5-10-25-22(30)8-11-26-23(31)19-29-14-9-20-6-3-4-7-21(20)24(29)32/h3-4,6-7,9,14H,2,5,8,10-13,15-19H2,1H3,(H,25,30)(H,26,31)