1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[4-(1H-benzimidazol-2-yl)piperidino]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)CN4CC(OC5=CC=CC=C5C4)C6=CSC=C6

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)CN4C[C@@H](OC5=CC=CC=C5C4)C6=CSC=C6

InChI

InChI=1S/C27H28N4O2S/c32-26(31-12-9-19(10-13-31)27-28-22-6-2-3-7-23(22)29-27)17-30-15-20-5-1-4-8-24(20)33-25(16-30)21-11-14-34-18-21/h1-8,11,14,18-19,25H,9-10,12-13,15-17H2,(H,28,29)/t25-/m1/s1