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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-isopropyl-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-isopropyl-benzamide Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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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)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O2/c1-17(2)15-24(30)29-13-11-28(12-14-29)23-10-9-21(16-22(23)26)27-25(31)20-7-5-19(6-8-20)18(3)4/h5-10,16-18H,11-15H2,1-4H3,(H,27,31)