2-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-2-methyl-propan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-16(2)21(26)24-12-10-23(11-13-24)18-8-9-20(25(27)28)19(14-18)22-15-17-6-4-3-5-7-17/h3-9,14,16,22H,10-13,15H2,1-2H3