1-benzofuran-2-yl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]methanone Formula: C26H24N4O4 MolecularWeight: 456.49316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H24N4O4/c31-26(25-16-20-8-4-5-9-24(20)34-25)29-14-12-28(13-15-29)21-10-11-23(30(32)33)22(17-21)27-18-19-6-2-1-3-7-19/h1-11,16-17,27H,12-15,18H2