[7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-3-yl-methanone

Systemtic Name: [7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-3-yl-methanone Openeye Name: [7-[(4-benzyloxy-1-piperidyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-thienyl)methanone CAS Name: [7-[(4-phenylmethoxy-1-piperidinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-thiophenyl)methanone IUPAC Name: [7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-3-ylmethanone Traditional Name: [7-[(4-benzoxypiperidino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-thienyl)methanone Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CSC=C5

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CSC=C5

InChI

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