N-(1-adamantyl)-4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-[4-(2-chlorobenzoyl)piperazino]-3-nitro-benzamide Formula: C28H31ClN4O4 MolecularWeight: 523.02314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C28H31ClN4O4/c29-23-4-2-1-3-22(23)27(35)32-9-7-31(8-10-32)24-6-5-21(14-25(24)33(36)37)26(34)30-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-6,14,18-20H,7-13,15-17H2,(H,30,34)