N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-3-bromanyl-benzamide

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-3-bromanyl-benzamide Openeye Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-3-bromo-benzamide CAS Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-3-bromobenzamide IUPAC Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-3-bromobenzamide Traditional Name: N-[4-[[[3-(aminomethyl)benzyl]-(cyclopropanecarbonyl)amino]methyl]phenyl]-3-bromo-benzamide Formula: C26H26BrN3O2 MolecularWeight: 492.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)CC4=CC=CC(=C4)CN

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)CC4=CC=CC(=C4)CN

InChI

InChI=1S/C26H26BrN3O2/c27-23-6-2-5-22(14-23)25(31)29-24-11-7-18(8-12-24)16-30(26(32)21-9-10-21)17-20-4-1-3-19(13-20)15-28/h1-8,11-14,21H,9-10,15-17,28H2,(H,29,31)