2-(3-methylphenyl)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylphenyl)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(m-tolyl)-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(m-tolyl)-4-(3-nitro-4-piperidino-benzylidene)isoquinoline-1,3-quinone Formula: C28H25N3O4 MolecularWeight: 467.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C2=O

InChI

InChI=1S/C28H25N3O4/c1-19-8-7-9-21(16-19)30-27(32)23-11-4-3-10-22(23)24(28(30)33)17-20-12-13-25(26(18-20)31(34)35)29-14-5-2-6-15-29/h3-4,7-13,16-18H,2,5-6,14-15H2,1H3