N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]-3-methyl-4-nitro-benzamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O3/c1-17-15-19(7-10-21(17)28(30)31)23(29)24-16-22(27-13-11-26(4)12-14-27)18-5-8-20(9-6-18)25(2)3/h5-10,15,22H,11-14,16H2,1-4H3,(H,24,29)