N-[2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide Formula: C30H39N5O5 MolecularWeight: 549.66116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CCC5)OC

InChI

InChI=1S/C30H39N5O5/c1-39-26-10-8-22(20-27(26)40-2)28(36)32-24-19-23(30(38)35-15-11-31-12-16-35)7-9-25(24)33-13-4-14-34(18-17-33)29(37)21-5-3-6-21/h7-10,19-21,31H,3-6,11-18H2,1-2H3,(H,32,36)