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

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-tert-butyl-benzamide Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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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)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3CC3

InChI

InChI=1S/C25H32ClN3O2/c1-25(2,3)20-9-7-17(8-10-20)23(30)28-21-11-12-22(26)19(15-21)16-29(14-4-13-27)24(31)18-5-6-18/h7-12,15,18H,4-6,13-14,16,27H2,1-3H3,(H,28,30)