N-(3-azanylpropyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(3-aminopropyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(3-aminopropyl)-N-[[3-[[(2-bromophenyl)-oxomethyl]amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(3-aminopropyl)-N-[3-[(2-bromobenzoyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C26H28BrN3O4 MolecularWeight: 526.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN3O4/c1-33-23-12-11-19(16-24(23)34-2)26(32)30(14-6-13-28)17-18-7-5-8-20(15-18)29-25(31)21-9-3-4-10-22(21)27/h3-5,7-12,15-16H,6,13-14,17,28H2,1-2H3,(H,29,31)