1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenoxy-propan-1-one

Systemtic Name: 1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenoxy-propan-1-one Openeye Name: 1-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-propan-1-one CAS Name: 1-[7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-1-propanone IUPAC Name: 1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenoxypropan-1-one Traditional Name: 1-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenoxy-propan-1-one Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)C(=O)CCOC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)C(=O)CCOC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H23NO3S/c1-17-7-8-21-19(13-17)14-24(15-22(27-21)18-10-12-28-16-18)23(25)9-11-26-20-5-3-2-4-6-20/h2-8,10,12-13,16,22H,9,11,14-15H2,1H3