3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(phenylmethyl)-3,4-dihydroquinoxalin-2-one

Systemtic Name: 3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(phenylmethyl)-3,4-dihydroquinoxalin-2-one Openeye Name: 1-benzyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,4-dihydroquinoxalin-2-one CAS Name: 3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-1-(phenylmethyl)-3,4-dihydroquinoxalin-2-one IUPAC Name: 1-benzyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,4-dihydroquinoxalin-2-one Traditional Name: 1-benzyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,4-dihydroquinoxalin-2-one Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)N(C3=CC=CC=C3N2)CC4=CC=CC=C4)CN5C=C(C=N5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)N(C3=CC=CC=C3N2)CC4=CC=CC=C4)CN5C=C(C=N5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4/c1-35-24-12-11-19(13-20(24)16-29-17-21(14-27-29)31(33)34)25-26(32)30(15-18-7-3-2-4-8-18)23-10-6-5-9-22(23)28-25/h2-14,17,25,28H,15-16H2,1H3