[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N3O3S/c1-17-6-8-20-22(15-17)31-21-9-7-18(30-2)16-19(21)24(26-20)27-10-4-11-28(13-12-27)25(29)23-5-3-14-32-23/h3,5-9,14-16H,4,10-13H2,1-2H3