N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-phenylmethoxybenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]benzamide Formula: C29H32ClN3O3 MolecularWeight: 506.03568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32ClN3O3/c1-21(2)17-28(34)33-15-13-32(14-16-33)27-12-11-24(30)19-26(27)31-29(35)23-9-6-10-25(18-23)36-20-22-7-4-3-5-8-22/h3-12,18-19,21H,13-17,20H2,1-2H3,(H,31,35)