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

Systemtic Name: [7-chloranyl-2-(furan-2-ylmethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [7-chloro-2-(2-furylmethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-2-(2-furanylmethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-2-(furan-2-ylmethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-2-(2-furfurylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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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)NCC4=CC=CO4

Isomeric SMILES

CC(=O)OC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C22H18ClN3O3/c1-14(27)29-22-21(24-13-17-8-5-11-28-17)25-19-10-9-16(23)12-18(19)20(26-22)15-6-3-2-4-7-15/h2-12,22H,13H2,1H3,(H,24,25)