3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c31-24(28-22-12-15-29(16-13-22)18-20-6-2-1-3-7-20)10-14-27-25(32)19-30-17-11-21-8-4-5-9-23(21)26(30)33/h1-9,11,17,22H,10,12-16,18-19H2,(H,27,32)(H,28,31)