[2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-(2-methylpyridin-4-yl)methanone

Systemtic Name: [2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-(2-methylpyridin-4-yl)methanone Openeye Name: [2-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-(2-methyl-4-pyridyl)methanone CAS Name: [2-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-(2-methyl-4-pyridinyl)methanone IUPAC Name: [2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-(2-methylpyridin-4-yl)methanone Traditional Name: [2-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidaz[4,5-d]azepin-6-yl]-(2-methyl-4-pyridyl)methanone Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C(=O)N2CCC3=C(CC2)N=C(N3)C4=NC5=C(C=CC(=C5S4)N6CCOCC6)OC

Isomeric SMILES

CC1=NC=CC(=C1)C(=O)N2CCC3=C(CC2)N=C(N3)C4=NC5=C(C=CC(=C5S4)N6CCOCC6)OC

InChI

InChI=1S/C26H28N6O3S/c1-16-15-17(5-8-27-16)26(33)32-9-6-18-19(7-10-32)29-24(28-18)25-30-22-21(34-2)4-3-20(23(22)36-25)31-11-13-35-14-12-31/h3-5,8,15H,6-7,9-14H2,1-2H3,(H,28,29)