2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H27ClN4O3/c1-17-4-3-5-18(12-17)14-25-8-10-26(11-9-25)22(28)16-24(2)15-19-13-20(27(29)30)6-7-21(19)23/h3-7,12-13H,8-11,14-16H2,1-2H3