6-[[2-[4-[(4-methylphenyl)amino]-6-[4-(phenylmethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[4-[(4-methylphenyl)amino]-6-[4-(phenylmethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[4-(4-benzyl-1-piperidyl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(4-methylanilino)-6-[4-(phenylmethyl)-1-piperidinyl]-1,3,5-triazin-2-yl]hydrazo]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[4-(4-benzylpiperidin-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[4-(4-benzylpiperidino)-6-(p-toluidino)-s-triazin-2-yl]hydrazino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C29H30N8O3 MolecularWeight: 538.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)NNC=C5C=CC=C(C5=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)NNC=C5C=CC=C(C5=O)[N+](=O)[O-]

InChI

InChI=1S/C29H30N8O3/c1-20-10-12-24(13-11-20)31-27-32-28(35-30-19-23-8-5-9-25(26(23)38)37(39)40)34-29(33-27)36-16-14-22(15-17-36)18-21-6-3-2-4-7-21/h2-13,19,22,30H,14-18H2,1H3,(H2,31,32,33,34,35)