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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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