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

Systemtic Name: 5-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-1-naphthamide Formula: C26H27BrClN3O2 MolecularWeight: 528.86848

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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=CC4=C3C=CC=C4Br)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC4=C3C=CC=C4Br)Cl

InChI

InChI=1S/C26H27BrClN3O2/c1-17(2)15-25(32)31-13-11-30(12-14-31)24-10-9-18(16-23(24)28)29-26(33)21-7-3-6-20-19(21)5-4-8-22(20)27/h3-10,16-17H,11-15H2,1-2H3,(H,29,33)