2-bromanyl-6-methoxy-4-[[2-(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-6-methoxy-4-[[2-(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[2-(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazo]methylidene]-2-bromo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[2-(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinyl]methylidene]-2-bromo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[N'-(4-anilino-6-pyrrolidino-s-triazin-2-yl)hydrazino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H22BrN7O2 MolecularWeight: 484.34908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)C=C(C1=O)Br

InChI

InChI=1S/C21H22BrN7O2/c1-31-17-12-14(11-16(22)18(17)30)13-23-28-20-25-19(24-15-7-3-2-4-8-15)26-21(27-20)29-9-5-6-10-29/h2-4,7-8,11-13,23H,5-6,9-10H2,1H3,(H2,24,25,26,27,28)