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

Systemtic Name: (4Z)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-[(4-methoxyphenyl)methyl]-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-[(4-methoxyphenyl)methyl]-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-4-(3-nitro-4-piperidino-benzylidene)-2-p-anisyl-isoquinoline-1,3-quinone Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C/C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C29H27N3O5/c1-37-22-12-9-20(10-13-22)19-31-28(33)24-8-4-3-7-23(24)25(29(31)34)17-21-11-14-26(27(18-21)32(35)36)30-15-5-2-6-16-30/h3-4,7-14,17-18H,2,5-6,15-16,19H2,1H3/b25-17-