1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-(2-nitroanilino)butan-1-one Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27N3O5/c27-23(9-3-12-24-18-6-1-2-7-20(18)26(28)29)25-13-4-8-19(25)17-10-11-21-22(16-17)31-15-5-14-30-21/h1-2,6-7,10-11,16,19,24H,3-5,8-9,12-15H2