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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C25H25BrClN3O3 MolecularWeight: 530.8413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)Cl

InChI

InChI=1S/C25H25BrClN3O3/c1-33-20-10-7-17(8-11-20)25(32)30(14-4-13-28)16-18-15-19(9-12-23(18)27)29-24(31)21-5-2-3-6-22(21)26/h2-3,5-12,15H,4,13-14,16,28H2,1H3,(H,29,31)