1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one

Systemtic Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one Openeye Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one CAS Name: 1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-6-[3-(1-pyrrolidinylsulfonyl)phenyl]-5,6-dihydro-2H-azepin-7-one IUPAC Name: 1-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one Traditional Name: 1-(1-phenyl-2-pyrrolidino-ethyl)-6-(3-pyrrolidinosulfonylphenyl)-5,6-dihydro-2H-azepin-7-one Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C28H35N3O3S/c32-28-26(24-13-10-14-25(21-24)35(33,34)30-18-8-9-19-30)15-4-5-20-31(28)27(22-29-16-6-7-17-29)23-11-2-1-3-12-23/h1-5,10-14,21,26-27H,6-9,15-20,22H2