methyl 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: methyl 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[(3S)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester Formula: C25H21FN4O4 MolecularWeight: 460.457043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C25H21FN4O4/c1-34-21(31)15-30-20-14-8-5-11-17(20)22(16-9-3-2-4-10-16)28-23(24(30)32)29-25(33)27-19-13-7-6-12-18(19)26/h2-14,23H,15H2,1H3,(H2,27,29,33)/t23-/m1/s1