1-oxidanyl-4-pent-4-enoyl-2-(phenylmethyl)isoquinolin-3-one

Systemtic Name: 1-oxidanyl-4-pent-4-enoyl-2-(phenylmethyl)isoquinolin-3-one Openeye Name: 2-benzyl-1-hydroxy-4-pent-4-enoyl-isoquinolin-3-one CAS Name: 1-hydroxy-4-(1-oxopent-4-enyl)-2-(phenylmethyl)-3-isoquinolinone IUPAC Name: 2-benzyl-1-hydroxy-4-pent-4-enoylisoquinolin-3-one Traditional Name: 2-benzyl-1-hydroxy-4-pent-4-enoyl-3-isoquinolone Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)C1=C2C=CC=CC2=C(N(C1=O)CC3=CC=CC=C3)O

Isomeric SMILES

C=CCCC(=O)C1=C2C=CC=CC2=C(N(C1=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H19NO3/c1-2-3-13-18(23)19-16-11-7-8-12-17(16)20(24)22(21(19)25)14-15-9-5-4-6-10-15/h2,4-12,24H,1,3,13-14H2