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

Systemtic Name: (4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-pyrrol-1-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]-6-pyrrol-1-yl-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]-6-(1-pyrrolyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-6-pyrrol-1-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(4-methylpiperazino)anilino]methylene]-6-pyrrol-1-yl-isoquinoline-1,3-quinone Formula: C25H25N5O2 MolecularWeight: 427.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)N5C=CC=C5)C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)N5C=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C25H25N5O2/c1-28-12-14-30(15-13-28)19-6-4-18(5-7-19)26-17-23-22-16-20(29-10-2-3-11-29)8-9-21(22)24(31)27-25(23)32/h2-11,16-17,26H,12-15H2,1H3,(H,27,31,32)/b23-17-