N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-2-chloro-4-nitro-benzamide Formula: C28H29ClN4O4 MolecularWeight: 521.00726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H29ClN4O4/c1-28(2,3)20-6-4-19(5-7-20)27(35)32-16-14-31(15-17-32)22-10-8-21(9-11-22)30-26(34)24-13-12-23(33(36)37)18-25(24)29/h4-13,18H,14-17H2,1-3H3,(H,30,34)