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

Systemtic Name: (4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-piperidin-1-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]-6-(1-piperidyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]-6-(1-piperidinyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-6-piperidin-1-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(4-methylpiperazino)anilino]methylene]-6-piperidino-isoquinoline-1,3-quinone Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)N5CCCCC5)C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)N5CCCCC5)C(=O)NC3=O

InChI

InChI=1S/C26H31N5O2/c1-29-13-15-31(16-14-29)20-7-5-19(6-8-20)27-18-24-23-17-21(30-11-3-2-4-12-30)9-10-22(23)25(32)28-26(24)33/h5-10,17-18,27H,2-4,11-16H2,1H3,(H,28,32,33)/b24-18-