N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluoro-benzamide CAS Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluorobenzamide IUPAC Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluorobenzamide Traditional Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-4-fluoro-benzamide Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O3/c1-15-23(17-10-13-21(31-2)22(14-17)32-3)24(28-20-7-5-4-6-19(20)27-15)29-25(30)16-8-11-18(26)12-9-16/h4-14,23H,1-3H3,(H,28,29,30)/t23-/m1/s1