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

Systemtic Name: N-(4-chlorophenyl)-4-(4-morpholin-4-yl-3-nitro-phenyl)phthalazin-1-amine Openeye Name: N-(4-chlorophenyl)-4-(4-morpholino-3-nitro-phenyl)phthalazin-1-amine CAS Name: N-(4-chlorophenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine IUPAC Name: N-(4-chlorophenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)phthalazin-1-amine Traditional Name: (4-chlorophenyl)-[4-(4-morpholino-3-nitro-phenyl)phthalazin-1-yl]amine Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN5O3/c25-17-6-8-18(9-7-17)26-24-20-4-2-1-3-19(20)23(27-28-24)16-5-10-21(22(15-16)30(31)32)29-11-13-33-14-12-29/h1-10,15H,11-14H2,(H,26,28)