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

Systemtic Name: (4Z)-6-bromanyl-4-[[[4-(pyrrolidin-1-ylmethyl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[4-(1-pyrrolidinylmethyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[4-(pyrrolidinomethyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)Br)C(=O)NC3=O

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)Br)C(=O)NC3=O

InChI

InChI=1S/C21H20BrN3O2/c22-15-5-8-17-18(11-15)19(21(27)24-20(17)26)12-23-16-6-3-14(4-7-16)13-25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26,27)/b19-12-