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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H34ClN3O2 MolecularWeight: 468.03076

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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(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34ClN3O2/c1-20(2)18-25(32)31-16-14-30(15-17-31)24-11-10-22(28)19-23(24)29-26(33)27(12-6-7-13-27)21-8-4-3-5-9-21/h3-5,8-11,19-20H,6-7,12-18H2,1-2H3,(H,29,33)