N-(3-methylphenyl)-4-(4-morpholin-4-yl-3-nitro-phenyl)phthalazin-1-amine

Systemtic Name: N-(3-methylphenyl)-4-(4-morpholin-4-yl-3-nitro-phenyl)phthalazin-1-amine Openeye Name: 4-(4-morpholino-3-nitro-phenyl)-N-(m-tolyl)phthalazin-1-amine CAS Name: N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine IUPAC Name: N-(3-methylphenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)phthalazin-1-amine Traditional Name: [4-(4-morpholino-3-nitro-phenyl)phthalazin-1-yl]-(m-tolyl)amine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-17-5-4-6-19(15-17)26-25-21-8-3-2-7-20(21)24(27-28-25)18-9-10-22(23(16-18)30(31)32)29-11-13-33-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,26,28)