4-ethoxy-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-3-36-25-13-8-21(18-24(25)31(34)35)26(32)28-22-9-11-23(12-10-22)29-14-16-30(17-15-29)27(33)20-6-4-19(2)5-7-20/h4-13,18H,3,14-17H2,1-2H3,(H,28,32)