[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone

Systemtic Name: [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Openeye Name: [(2S)-2-(2-imidazol-1-ylethyl)-1-piperidyl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone CAS Name: [(2S)-2-[2-(1-imidazolyl)ethyl]-1-piperidinyl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Traditional Name: [(2S)-2-(2-imidazol-1-ylethyl)piperidino]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2C=CN=C2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCN([C@@H](C1)CCN2C=CN=C2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c31-26(30-15-5-4-8-22(30)13-16-29-17-14-27-19-29)21-10-11-24-23(18-21)28-25(32-24)12-9-20-6-2-1-3-7-20/h1-3,6-7,10-11,14,17-19,22H,4-5,8-9,12-13,15-16H2/t22-/m0/s1