6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-[3-nitro-4-(1-pyrrolidinyl)phenyl]-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-(3-nitro-4-pyrrolidin-1-ylphenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-(3-nitro-4-pyrrolidino-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O2/c1-2-7-20-23-24-22-17-9-4-3-8-16(17)21(25-27(20)22)15-10-11-18(19(14-15)28(29)30)26-12-5-6-13-26/h3-4,8-11,14H,2,5-7,12-13H2,1H3