(3Z)-3-[[(4-methylphenyl)methylamino]-oxidanyl-methylidene]-6-propyl-isoquinoline-1,4-dione

Systemtic Name: (3Z)-3-[[(4-methylphenyl)methylamino]-oxidanyl-methylidene]-6-propyl-isoquinoline-1,4-dione Openeye Name: (3Z)-3-[hydroxy-(p-tolylmethylamino)methylene]-6-propyl-isoquinoline-1,4-dione CAS Name: (3Z)-3-[hydroxy-[(4-methylphenyl)methylamino]methylidene]-6-propylisoquinoline-1,4-dione IUPAC Name: (3Z)-3-[hydroxy-[(4-methylphenyl)methylamino]methylidene]-6-propylisoquinoline-1,4-dione Traditional Name: (3Z)-3-[hydroxy-[(4-methylbenzyl)amino]methylene]-6-propyl-isoquinoline-1,4-quinone Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(=O)NC(=C(NCC3=CC=C(C=C3)C)O)C2=O

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(=O)N/C(=C(/NCC3=CC=C(C=C3)C)\O)/C2=O

InChI

InChI=1S/C21H22N2O3/c1-3-4-14-9-10-16-17(11-14)19(24)18(23-20(16)25)21(26)22-12-15-7-5-13(2)6-8-15/h5-11,22,26H,3-4,12H2,1-2H3,(H,23,25)/b21-18-