N-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)methyl-(4-nitrophenyl)amino]-4-methyl-pentanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)methyl-(4-nitrophenyl)amino]-4-methyl-pentanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-[N-[(4-chlorophenyl)methyl]-4-nitro-anilino]-4-methyl-pentanamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-[N-[(4-chlorophenyl)methyl]-4-nitroanilino]-4-methylpentanamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-[N-[(4-chlorophenyl)methyl]-4-nitroanilino]-4-methylpentanamide Traditional Name: N-(4-tert-butylbenzyl)-2-(N-(4-chlorobenzyl)-4-nitro-anilino)-4-methyl-valeramide Formula: C30H36ClN3O3 MolecularWeight: 522.07814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=C(C=C1)C(C)(C)C)N(CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC=C(C=C1)C(C)(C)C)N(CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C30H36ClN3O3/c1-21(2)18-28(29(35)32-19-22-6-10-24(11-7-22)30(3,4)5)33(20-23-8-12-25(31)13-9-23)26-14-16-27(17-15-26)34(36)37/h6-17,21,28H,18-20H2,1-5H3,(H,32,35)