methyl 7-chloranyl-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate

Systemtic Name: methyl 7-chloranyl-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Openeye Name: methyl 7-chloro-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate CAS Name: 7-chloro-5-(4-methyl-1-piperazinyl)-2-thieno[2,3-b][1,4]benzoxazepinecarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Traditional Name: 7-chloro-5-(4-methylpiperazino)thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(OC4=C2C=C(C=C4)Cl)SC(=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(OC4=C2C=C(C=C4)Cl)SC(=C3)C(=O)OC

InChI

InChI=1S/C18H18ClN3O3S/c1-21-5-7-22(8-6-21)16-12-9-11(19)3-4-14(12)25-18-13(20-16)10-15(26-18)17(23)24-2/h3-4,9-10H,5-8H2,1-2H3