N-cyclohexyl-6-(4-fluorophenyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclohexyl-6-(4-fluorophenyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclohexyl-6-(4-fluorophenyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclohexyl-6-(4-fluorophenyl)-3-pyrido[3,2-b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclohexyl-6-(4-fluorophenyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclohexyl-6-(4-fluorophenyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN3OS/c26-17-12-10-16(11-13-17)23-19-8-4-5-9-21(19)31-22-15-14-20(28-24(22)29-23)25(30)27-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7H2,(H,27,30)