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

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-(3-methoxyphenyl)-1-propanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(3-methoxyphenyl)propan-1-one Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27NO4/c1-26-19-6-2-5-17(15-19)8-11-23(25)24-12-3-7-20(24)18-9-10-21-22(16-18)28-14-4-13-27-21/h2,5-6,9-10,15-16,20H,3-4,7-8,11-14H2,1H3