1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-7-(2-pyridin-2-yl-1,3-thiazol-4-yl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-7-(2-pyridin-2-yl-1,3-thiazol-4-yl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-7-[2-(2-pyridyl)thiazol-4-yl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-7-[2-(2-pyridinyl)-4-thiazolyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-7-(2-pyridin-2-yl-1,3-thiazol-4-yl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-7-[2-(2-pyridyl)thiazol-4-yl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)CNCC5=C4C=CC(=C5)C6=CSC(=N6)C7=CC=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C(=O)CNCC5=C4C=CC(=C5)C6=CSC(=N6)C7=CC=CC=N7

InChI

InChI=1S/C29H30N4O2S/c34-26(29-11-18-7-19(12-29)9-20(8-18)13-29)16-33-25-5-4-21(10-22(25)14-30-15-27(33)35)24-17-36-28(32-24)23-3-1-2-6-31-23/h1-6,10,17-20,30H,7-9,11-16H2