3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-nitroanilino)ethyl]pyrazole-4-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-26-14-18(21(25-26)15-3-8-19-20(13-15)32-12-2-11-31-19)22(28)24-10-9-23-16-4-6-17(7-5-16)27(29)30/h3-8,13-14,23H,2,9-12H2,1H3,(H,24,28)