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

Systemtic Name: (4Z)-6-bromanyl-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[4-(1-piperidylmethyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[4-(1-piperidinylmethyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[4-(piperidinomethyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2/c23-16-6-9-18-19(12-16)20(22(28)25-21(18)27)13-24-17-7-4-15(5-8-17)14-26-10-2-1-3-11-26/h4-9,12-13,24H,1-3,10-11,14H2,(H,25,27,28)/b20-13-