N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazino)-N-[(E)-(3-bromo-4-methoxy-benzylidene)amino]acetamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-28-20-8-7-18(13-19(20)22)14-23-24-21(27)16-26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,27)/b23-14+