1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(p-tolyl)propan-1-one Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3/c1-17-5-7-18(8-6-17)9-12-23(25)24-13-2-4-20(24)19-10-11-21-22(16-19)27-15-3-14-26-21/h5-8,10-11,16,20H,2-4,9,12-15H2,1H3/t20-/m0/s1