2-[[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxy-propan-1-ol

Systemtic Name: 2-[[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxy-propan-1-ol Openeye Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxy-propan-1-ol CAS Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxy-1-propanol IUPAC Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxypropan-1-ol Traditional Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3,3-diethoxy-propan-1-ol Formula: C22H25ClFN3O3 MolecularWeight: 433.903603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CO)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)OCC

Isomeric SMILES

CCOC(C(CO)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)OCC

InChI

InChI=1S/C22H25ClFN3O3/c1-3-29-22(30-4-2)19(13-28)27-20-12-25-21(15-7-5-6-8-17(15)24)16-11-14(23)9-10-18(16)26-20/h5-11,19,22,28H,3-4,12-13H2,1-2H3,(H,26,27)