(4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-phenyl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-phenyl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]-6-phenyl-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]-6-phenylisoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-6-phenylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(4-methylpiperazino)anilino]methylene]-6-phenyl-isoquinoline-1,3-quinone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)C5=CC=CC=C5)C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)C5=CC=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C27H26N4O2/c1-30-13-15-31(16-14-30)22-10-8-21(9-11-22)28-18-25-24-17-20(19-5-3-2-4-6-19)7-12-23(24)26(32)29-27(25)33/h2-12,17-18,28H,13-16H2,1H3,(H,29,32,33)/b25-18-