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

Systemtic Name: (4Z)-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-6-pyrrol-1-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(1-piperidylmethyl)anilino]methylene]-6-pyrrol-1-yl-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(1-piperidinylmethyl)anilino]methylidene]-6-(1-pyrrolyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]-6-pyrrol-1-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(piperidinomethyl)anilino]methylene]-6-pyrrol-1-yl-isoquinoline-1,3-quinone Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)N5C=CC=C5)C(=O)NC3=O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)N5C=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C26H26N4O2/c31-25-22-11-10-21(30-14-4-5-15-30)16-23(22)24(26(32)28-25)17-27-20-8-6-19(7-9-20)18-29-12-2-1-3-13-29/h4-11,14-17,27H,1-3,12-13,18H2,(H,28,31,32)/b24-17-