N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3CC3)OC

InChI

InChI=1S/C23H28ClN3O4/c1-30-20-9-6-16(13-21(20)31-2)22(28)26-18-7-8-19(24)17(12-18)14-27(11-3-10-25)23(29)15-4-5-15/h6-9,12-13,15H,3-5,10-11,14,25H2,1-2H3,(H,26,28)