1-(5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-yl)azetidin-3-ol

Systemtic Name: 1-(5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-yl)azetidin-3-ol Openeye Name: 1-[5-phenyl-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]azetidin-3-ol CAS Name: 1-(5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-yl)-3-azetidinol IUPAC Name: 1-(5-phenyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-yl)azetidin-3-ol Traditional Name: 1-[5-phenyl-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]azetidin-3-ol Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=NC3=C(C=CC=N3)C(=NC2C4=CC=CS4)C5=CC=CC=C5)O

Isomeric SMILES

C1C(CN1C2=NC3=C(C=CC=N3)C(=NC2C4=CC=CS4)C5=CC=CC=C5)O

InChI

InChI=1S/C21H18N4OS/c26-15-12-25(13-15)21-19(17-9-5-11-27-17)23-18(14-6-2-1-3-7-14)16-8-4-10-22-20(16)24-21/h1-11,15,19,26H,12-13H2