N-(3-chloranyl-4-methyl-phenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)-1-pyrrolidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H22ClN3O2/c1-16-9-11-19(15-20(16)26)27-25(30)29-13-5-8-22(29)24-28-21-14-18(10-12-23(21)31-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,22H,5,8,13H2,1H3,(H,27,30)