(2R)-N-(3-chloranyl-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide Openeye Name: (2R)-N-(3-chloro-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide CAS Name: (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide Traditional Name: (2R)-N-(3-chloro-4-methyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carboxamide Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-14-5-7-16(13-17(14)22)23-21(25)24-9-2-4-18(24)15-6-8-19-20(12-15)27-11-3-10-26-19/h5-8,12-13,18H,2-4,9-11H2,1H3,(H,23,25)/t18-/m1/s1