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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-propoxy-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-propoxy-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-propoxybenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-3-propoxy-benzamide Formula: C25H32ClN3O3 MolecularWeight: 457.99288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C25H32ClN3O3/c1-4-14-32-21-7-5-6-19(16-21)25(31)27-22-17-20(26)8-9-23(22)28-10-12-29(13-11-28)24(30)15-18(2)3/h5-9,16-18H,4,10-15H2,1-3H3,(H,27,31)