N-[3-[[3-azanylpropyl(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide Formula: C28H32ClN3O2 MolecularWeight: 478.02558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H32ClN3O2/c1-28(2,3)23-12-10-20(11-13-23)26(33)31-24-14-15-25(29)22(18-24)19-32(17-7-16-30)27(34)21-8-5-4-6-9-21/h4-6,8-15,18H,7,16-17,19,30H2,1-3H3,(H,31,33)