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

Systemtic Name: (4Z)-6-piperidin-1-yl-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-(1-piperidyl)-4-[[4-(1-piperidylmethyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-(1-piperidinyl)-4-[[4-(1-piperidinylmethyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-piperidin-1-yl-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-piperidino-4-[[4-(piperidinomethyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)N5CCCCC5)C(=O)NC3=O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)N5CCCCC5)C(=O)NC3=O

InChI

InChI=1S/C27H32N4O2/c32-26-23-12-11-22(31-15-5-2-6-16-31)17-24(23)25(27(33)29-26)18-28-21-9-7-20(8-10-21)19-30-13-3-1-4-14-30/h7-12,17-18,28H,1-6,13-16,19H2,(H,29,32,33)/b25-18-