[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: [1-(1,3-benzoxazol-2-yl)-4-piperidyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: [1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: [1-(1,3-benzoxazol-2-yl)-4-piperidyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N3O3/c1-31-21-12-10-19(11-13-21)23-8-3-2-6-16-29(23)25(30)20-14-17-28(18-15-20)26-27-22-7-4-5-9-24(22)32-26/h4-5,7,9-13,20,23H,2-3,6,8,14-18H2,1H3