2-[(4-chloranyl-3-methyl-phenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(4-chloro-3-methylphenoxy)methyl]-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-chloro-3-methylphenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-phenylpiperazino)oxazole-4-carbonitrile Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=C(O2)N3CCN(CC3)C4=CC=CC=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=C(O2)N3CCN(CC3)C4=CC=CC=C4)C#N)Cl

InChI

InChI=1S/C22H21ClN4O2/c1-16-13-18(7-8-19(16)23)28-15-21-25-20(14-24)22(29-21)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,13H,9-12,15H2,1H3