1-benzofuran-2-yl-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-15(2)23-18-14-17(7-8-19(18)26(28)29)24-9-11-25(12-10-24)22(27)21-13-16-5-3-4-6-20(16)30-21/h3-8,13-15,23H,9-12H2,1-2H3