[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N3O3S/c1-29-17-9-10-18-21(16-17)30-20-7-3-2-6-19(20)25-23(18)26-11-5-12-27(14-13-26)24(28)22-8-4-15-31-22/h2-4,6-10,15-16H,5,11-14H2,1H3