1-(3-azanyl-1-piperidin-3-yl-azepan-2-yl)-2-phenylmethoxy-ethanone

Systemtic Name: 1-(3-azanyl-1-piperidin-3-yl-azepan-2-yl)-2-phenylmethoxy-ethanone Openeye Name: 1-[3-amino-1-(3-piperidyl)azepan-2-yl]-2-benzyloxy-ethanone CAS Name: 1-[3-amino-1-(3-piperidinyl)-2-azepanyl]-2-phenylmethoxyethanone IUPAC Name: 1-(3-amino-1-piperidin-3-ylazepan-2-yl)-2-phenylmethoxyethanone Traditional Name: 1-[3-amino-1-(3-piperidyl)azepan-2-yl]-2-benzoxy-ethanone Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)N)C(=O)COCC2=CC=CC=C2)C3CCCNC3

Isomeric SMILES

C1CCN(C(C(C1)N)C(=O)COCC2=CC=CC=C2)C3CCCNC3

InChI

InChI=1S/C20H31N3O2/c21-18-10-4-5-12-23(17-9-6-11-22-13-17)20(18)19(24)15-25-14-16-7-2-1-3-8-16/h1-3,7-8,17-18,20,22H,4-6,9-15,21H2