3-[2-(2-chlorophenyl)ethylamino]-1-[(phenylmethyl)amino]azepan-2-one

Systemtic Name: 3-[2-(2-chlorophenyl)ethylamino]-1-[(phenylmethyl)amino]azepan-2-one Openeye Name: 1-(benzylamino)-3-[2-(2-chlorophenyl)ethylamino]azepan-2-one CAS Name: 3-[2-(2-chlorophenyl)ethylamino]-1-[(phenylmethyl)amino]-2-azepanone IUPAC Name: 1-(benzylamino)-3-[2-(2-chlorophenyl)ethylamino]azepan-2-one Traditional Name: 1-(benzylamino)-3-[2-(2-chlorophenyl)ethylamino]azepan-2-one Formula: C21H26ClN3O MolecularWeight: 371.90364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NCCC2=CC=CC=C2Cl)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=O)C(C1)NCCC2=CC=CC=C2Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O/c22-19-11-5-4-10-18(19)13-14-23-20-12-6-7-15-25(21(20)26)24-16-17-8-2-1-3-9-17/h1-5,8-11,20,23-24H,6-7,12-16H2