N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-yl-pyridine-4-carboxamide

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-yl-pyridine-4-carboxamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-yl-pyridine-4-carboxamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyrrolidino-isonicotinamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC(=NC=C4)N5CCCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC(=NC=C4)N5CCCC5

InChI

InChI=1S/C23H26N4O4S/c1-29-18-5-4-17(16-13-30-10-11-31-14-16)21-20(18)25-23(32-21)26-22(28)15-6-7-24-19(12-15)27-8-2-3-9-27/h4-7,12,16H,2-3,8-11,13-14H2,1H3,(H,25,26,28)