4-(4-methoxy-3-nitro-phenyl)-N-(phenylmethyl)phthalazin-1-amine

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)-N-(phenylmethyl)phthalazin-1-amine Openeye Name: N-benzyl-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine CAS Name: 4-(4-methoxy-3-nitrophenyl)-N-(phenylmethyl)-1-phthalazinamine IUPAC Name: N-benzyl-4-(4-methoxy-3-nitrophenyl)phthalazin-1-amine Traditional Name: benzyl-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amine Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-29-20-12-11-16(13-19(20)26(27)28)21-17-9-5-6-10-18(17)22(25-24-21)23-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,25)