N-[(4-phenyloxan-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide

Systemtic Name: N-[(4-phenyloxan-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[(4-phenyl-4-oxanyl)methyl]-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[(4-phenyloxan-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNC(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1(CNC(=O)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3S/c30-26(28-20-27(11-13-31-14-12-27)23-7-2-1-3-8-23)18-29-16-21-6-4-5-9-24(21)32-25(17-29)22-10-15-33-19-22/h1-10,15,19,25H,11-14,16-18,20H2,(H,28,30)/t25-/m1/s1