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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-[(2-nitrophenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-nitroanilino)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c1-26-14-16(21(25-26)15-7-8-19-20(13-15)32-12-4-11-31-19)22(28)24-10-9-23-17-5-2-3-6-18(17)27(29)30/h2-3,5-8,13-14,23H,4,9-12H2,1H3,(H,24,28)