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

Systemtic Name: (4Z)-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-6-thiophen-3-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(1-piperidylmethyl)anilino]methylene]-6-(3-thienyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(1-piperidinylmethyl)anilino]methylidene]-6-(3-thiophenyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]-6-thiophen-3-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(piperidinomethyl)anilino]methylene]-6-(3-thienyl)isoquinoline-1,3-quinone Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c30-25-22-9-6-19(20-10-13-32-17-20)14-23(22)24(26(31)28-25)15-27-21-7-4-18(5-8-21)16-29-11-2-1-3-12-29/h4-10,13-15,17,27H,1-3,11-12,16H2,(H,28,30,31)/b24-15-