4-(3-chloranylthiophen-2-yl)-8-(6-phenylmethoxypyridin-3-yl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-chloranylthiophen-2-yl)-8-(6-phenylmethoxypyridin-3-yl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-(6-benzyloxy-3-pyridyl)-4-(3-chloro-2-thienyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-chloro-2-thiophenyl)-8-(6-phenylmethoxy-3-pyridinyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-chlorothiophen-2-yl)-8-(6-phenylmethoxypyridin-3-yl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-(6-benzoxy-3-pyridyl)-4-(3-chloro-2-thienyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CN=C(C=C3)OCC4=CC=CC=C4)NC1=O)C5=C(C=CS5)Cl

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CN=C(C=C3)OCC4=CC=CC=C4)NC1=O)C5=C(C=CS5)Cl

InChI

InChI=1S/C25H18ClN3O2S/c26-19-10-11-32-25(19)22-13-23(30)29-21-12-17(6-8-20(21)28-22)18-7-9-24(27-14-18)31-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,29,30)