1-azanyl-N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-(1,3-dioxoisoindolin-2-yl)-1-phenyl-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-(1,3-dioxo-2-isoindolyl)-1-phenylethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-(1-phenyl-2-phthalimido-ethyl)isoquinoline-7-carboxamide Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C26H20N4O3/c27-23-21-14-18(11-10-16(21)12-13-28-23)24(31)29-22(17-6-2-1-3-7-17)15-30-25(32)19-8-4-5-9-20(19)26(30)33/h1-14,22H,15H2,(H2,27,28)(H,29,31)