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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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