1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-3-(2-nitroanilino)propan-1-one Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c27-22(7-8-23-18-3-1-2-4-19(18)26(28)29)25-11-9-24(10-12-25)16-17-5-6-20-21(15-17)31-14-13-30-20/h1-6,15,23H,7-14,16H2