4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-N-(2-naphthyl)-3-nitro-benzamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4/c1-18-24(19(2)36-29-18)17-30-11-13-31(14-12-30)25-10-8-22(16-26(25)32(34)35)27(33)28-23-9-7-20-5-3-4-6-21(20)15-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,33)