N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C21H23BrClN3O2 MolecularWeight: 464.78322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)Cl

Isomeric SMILES

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)Cl

InChI

InChI=1S/C21H23BrClN3O2/c22-18-5-2-1-4-17(18)20(27)25-16-8-9-19(23)15(12-16)13-26(11-3-10-24)21(28)14-6-7-14/h1-2,4-5,8-9,12,14H,3,6-7,10-11,13,24H2,(H,25,27)