N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3,4,5-triethoxy-benzamide Formula: C27H36ClN3O5 MolecularWeight: 518.04484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)Cl

InChI

InChI=1S/C27H36ClN3O5/c1-5-9-25(32)31-14-12-30(13-15-31)22-11-10-20(18-21(22)28)29-27(33)19-16-23(34-6-2)26(36-8-4)24(17-19)35-7-3/h10-11,16-18H,5-9,12-15H2,1-4H3,(H,29,33)