4-[(tert-butylamino)methylidene]-7-methoxy-2-(phenylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(tert-butylamino)methylidene]-7-methoxy-2-(phenylmethyl)isoquinoline-1,3-dione Openeye Name: 2-benzyl-4-[(tert-butylamino)methylene]-7-methoxy-isoquinoline-1,3-dione CAS Name: 4-[(tert-butylamino)methylidene]-7-methoxy-2-(phenylmethyl)isoquinoline-1,3-dione IUPAC Name: 2-benzyl-4-[(tert-butylamino)methylidene]-7-methoxyisoquinoline-1,3-dione Traditional Name: 2-benzyl-4-[(tert-butylamino)methylene]-7-methoxy-isoquinoline-1,3-quinone Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC=C1C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC=C1C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-22(2,3)23-13-19-17-11-10-16(27-4)12-18(17)20(25)24(21(19)26)14-15-8-6-5-7-9-15/h5-13,23H,14H2,1-4H3