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

Systemtic Name: N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-[4-(4-chlorobenzoyl)piperazino]phenyl]-4-ethoxy-3-nitro-benzamide Formula: C26H25ClN4O5 MolecularWeight: 508.9535

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H25ClN4O5/c1-2-36-24-12-5-19(17-23(24)31(34)35)25(32)28-21-8-10-22(11-9-21)29-13-15-30(16-14-29)26(33)18-3-6-20(27)7-4-18/h3-12,17H,2,13-16H2,1H3,(H,28,32)