2-[methyl-[(2-nitrophenyl)methyl]amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[methyl-[(2-nitrophenyl)methyl]amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[methyl-[(2-nitrophenyl)methyl]amino]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[methyl-[(2-nitrophenyl)methyl]amino]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[methyl-[(2-nitrophenyl)methyl]amino]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[methyl-(2-nitrobenzyl)amino]-1-(4-phenylpiperazino)propan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N(C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N(C)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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