N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-phenyl-pyrazole-4-carboxamide Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H26N4O5/c1-35-24-15-21(23(31(33)34)16-25(24)36-2)13-14-28-27(32)22-18-30(17-19-9-5-3-6-10-19)29-26(22)20-11-7-4-8-12-20/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,28,32)