(4Z)-6-iodanyl-4-[[[4-(1-methylpiperidin-4-yl)phenyl]amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-iodanyl-4-[[[4-(1-methylpiperidin-4-yl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-iodo-4-[[4-(1-methyl-4-piperidyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-iodo-4-[[4-(1-methyl-4-piperidinyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-iodo-4-[[4-(1-methylpiperidin-4-yl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-iodo-4-[[4-(1-methyl-4-piperidyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C22H22IN3O2 MolecularWeight: 487.33345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)I)C(=O)NC3=O

Isomeric SMILES

CN1CCC(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)I)C(=O)NC3=O

InChI

InChI=1S/C22H22IN3O2/c1-26-10-8-15(9-11-26)14-2-5-17(6-3-14)24-13-20-19-12-16(23)4-7-18(19)21(27)25-22(20)28/h2-7,12-13,15,24H,8-11H2,1H3,(H,25,27,28)/b20-13-