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

Systemtic Name: 4-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-methoxy-2-naphthamide Formula: C26H27BrClN3O3 MolecularWeight: 544.86788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrClN3O3/c1-3-6-23(32)31-13-11-30(12-14-31)22-10-9-18(16-21(22)28)29-26(33)20-15-17-7-4-5-8-19(17)24(27)25(20)34-2/h4-5,7-10,15-16H,3,6,11-14H2,1-2H3,(H,29,33)