[7-chloranyl-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate

Systemtic Name: [7-chloranyl-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [7-chloro-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-2-(phenethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2/c1-17(30)31-25-24(27-15-14-18-8-4-2-5-9-18)28-22-13-12-20(26)16-21(22)23(29-25)19-10-6-3-7-11-19/h2-13,16,25H,14-15H2,1H3,(H,27,28)