N-(1H-benzimidazol-2-ylmethyl)-4-[3-(furan-2-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-[3-(furan-2-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-[3-(2-furyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-[3-(2-furanyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-[3-(furan-2-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-[5-(2-furyl)-1-(4-nitrophenyl)-2-pyrazolin-3-yl]phenyl]amine Formula: C27H22N6O3 MolecularWeight: 478.50198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6

InChI

InChI=1S/C27H22N6O3/c34-33(35)21-13-11-20(12-14-21)32-25(26-6-3-15-36-26)16-24(31-32)18-7-9-19(10-8-18)28-17-27-29-22-4-1-2-5-23(22)30-27/h1-15,25,28H,16-17H2,(H,29,30)