1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-2-phenylmethoxy-ethanone

Systemtic Name: 1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-2-phenylmethoxy-ethanone Openeye Name: 1-[3-amino-1-(4-piperidyl)azepan-2-yl]-2-benzyloxy-ethanone CAS Name: 1-[3-amino-1-(4-piperidinyl)-2-azepanyl]-2-phenylmethoxyethanone IUPAC Name: 1-(3-amino-1-piperidin-4-ylazepan-2-yl)-2-phenylmethoxyethanone Traditional Name: 1-[3-amino-1-(4-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)C3CCNCC3

Isomeric SMILES

C1CCN(C(C(C1)N)C(=O)COCC2=CC=CC=C2)C3CCNCC3

InChI

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