5-chloranyl-N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-1,2-benzoxazole-3-carboxamide

Systemtic Name: 5-chloranyl-N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-1,2-benzoxazole-3-carboxamide Openeye Name: 5-chloro-N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-1,2-benzoxazole-3-carboxamide CAS Name: 5-chloro-N-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-1,2-benzoxazole-3-carboxamide IUPAC Name: 5-chloro-N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-1,2-benzoxazole-3-carboxamide Traditional Name: 5-chloro-N-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]indoxazene-3-carboxamide Formula: C31H33ClN4O2 MolecularWeight: 529.07232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=NOC4=C3C=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=NOC4=C3C=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C31H33ClN4O2/c1-22-12-14-31(15-13-22,36-18-16-35(17-19-36)26-8-3-2-4-9-26)23-6-5-7-25(20-23)33-30(37)29-27-21-24(32)10-11-28(27)38-34-29/h2-11,20-22H,12-19H2,1H3,(H,33,37)