(5S)-5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2-phenoxyethyl)azepan-2-one

Systemtic Name: (5S)-5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2-phenoxyethyl)azepan-2-one Openeye Name: (5S)-5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2-phenoxyethyl)azepan-2-one CAS Name: (5S)-5-[(3S)-3-(diethylamino)-1-pyrrolidinyl]-1-(2-phenoxyethyl)-2-azepanone IUPAC Name: (5S)-5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(2-phenoxyethyl)azepan-2-one Traditional Name: (5S)-5-[(3S)-3-(diethylamino)pyrrolidino]-1-(2-phenoxyethyl)azepan-2-one Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCN(C1)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCN(CC)[C@H]1CCN(C1)[C@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c1-3-23(4-2)20-13-15-25(18-20)19-10-11-22(26)24(14-12-19)16-17-27-21-8-6-5-7-9-21/h5-9,19-20H,3-4,10-18H2,1-2H3/t19-,20-/m0/s1