4-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-methoxy-2-naphthamide Formula: C27H29BrClN3O3 MolecularWeight: 558.89446

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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=CC4=CC=CC=C4C(=C3OC)Br)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br)Cl

InChI

InChI=1S/C27H29BrClN3O3/c1-17(2)14-24(33)32-12-10-31(11-13-32)23-9-8-19(16-22(23)29)30-27(34)21-15-18-6-4-5-7-20(18)25(28)26(21)35-3/h4-9,15-17H,10-14H2,1-3H3,(H,30,34)