6-[(E)-3-(oxidanylamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-[(E)-3-(oxidanylamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[(E)-3-(hydroxyamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-[(E)-3-(hydroxyamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[(E)-3-(hydroxyamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[(E)-3-(hydroxyamino)prop-1-enyl]-2-(3-phenylpropyl)-3,4-dihydroisocarbostyril Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)C=CCNO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)/C=C/CNO)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c24-21-20-11-10-18(8-4-13-22-25)16-19(20)12-15-23(21)14-5-9-17-6-2-1-3-7-17/h1-4,6-8,10-11,16,22,25H,5,9,12-15H2/b8-4+