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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3,4,5-triethoxy-benzamide Formula: C28H38ClN3O5 MolecularWeight: 532.07142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

InChI

InChI=1S/C28H38ClN3O5/c1-6-35-24-16-20(17-25(36-7-2)27(24)37-8-3)28(34)30-21-9-10-23(22(29)18-21)31-11-13-32(14-12-31)26(33)15-19(4)5/h9-10,16-19H,6-8,11-15H2,1-5H3,(H,30,34)