(4S)-2-(5-bromanyl-2-methoxy-phenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazole

Systemtic Name: (4S)-2-(5-bromanyl-2-methoxy-phenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazole Openeye Name: (4S)-2-(5-bromo-2-methoxy-phenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazole CAS Name: (4S)-2-(5-bromo-2-methoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-4,5-dihydrooxazole IUPAC Name: (4S)-2-(5-bromo-2-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazole Traditional Name: (4S)-2-(5-bromo-2-methoxy-phenyl)-4-[(4-phenylpiperazino)methyl]-2-oxazoline Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(CO2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=N[C@H](CO2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24BrN3O2/c1-26-20-8-7-16(22)13-19(20)21-23-17(15-27-21)14-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15H2,1H3/t17-/m0/s1