3-[1-(phenylmethyl)piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-one

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-one CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-one Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2=C(C1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCOC2=C(C1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31NO2/c27-24(22-10-12-25-23(18-22)8-4-5-17-28-25)11-9-20-13-15-26(16-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10,12,18,20H,4-5,8-9,11,13-17,19H2