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

Systemtic Name: (4Z)-6-phenylazanyl-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-anilino-4-[[4-(1-piperidylmethyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-anilino-4-[[4-(1-piperidinylmethyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-anilino-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-anilino-4-[[4-(piperidinomethyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)NC5=CC=CC=C5)C(=O)NC3=O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)NC5=CC=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C28H28N4O2/c33-27-24-14-13-23(30-22-7-3-1-4-8-22)17-25(24)26(28(34)31-27)18-29-21-11-9-20(10-12-21)19-32-15-5-2-6-16-32/h1,3-4,7-14,17-18,29-30H,2,5-6,15-16,19H2,(H,31,33,34)/b26-18-