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

Systemtic Name: (4Z)-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-6-pyridin-3-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(1-piperidylmethyl)anilino]methylene]-6-(3-pyridyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(1-piperidinylmethyl)anilino]methylidene]-6-(3-pyridinyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]-6-pyridin-3-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(piperidinomethyl)anilino]methylene]-6-(3-pyridyl)isoquinoline-1,3-quinone Formula: C27H26N4O2 MolecularWeight: 438.52094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)C5=CN=CC=C5)C(=O)NC3=O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)C5=CN=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C27H26N4O2/c32-26-23-11-8-20(21-5-4-12-28-16-21)15-24(23)25(27(33)30-26)17-29-22-9-6-19(7-10-22)18-31-13-2-1-3-14-31/h4-12,15-17,29H,1-3,13-14,18H2,(H,30,32,33)/b25-17-