1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol

Systemtic Name: 1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol Openeye Name: 1-[(3S)-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol CAS Name: 1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]-3-azetidinol IUPAC Name: 1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol Traditional Name: 1-[(3S)-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=NC3=CC=CC=C3C(=NC2C4=CC=CS4)C5=CC=CC=C5)O

Isomeric SMILES

C1C(CN1C2=NC3=CC=CC=C3C(=N[C@@H]2C4=CC=CS4)C5=CC=CC=C5)O

InChI

InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1