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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-phenylmethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[3-chloro-4-(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)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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