N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]-2-methyl-3-nitro-benzamide Formula: C27H28N4O6 MolecularWeight: 504.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H28N4O6/c1-18-24(5-4-6-25(18)31(34)35)26(32)28-20-7-9-21(10-8-20)29-11-13-30(14-12-29)27(33)19-15-22(36-2)17-23(16-19)37-3/h4-10,15-17H,11-14H2,1-3H3,(H,28,32)