(phenylmethyl) 3-[(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Openeye Name: benzyl 3-[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate CAS Name: 3-[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Traditional Name: 3-[(3S)-7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid benzyl ester Formula: C25H21ClN2O3 MolecularWeight: 432.89884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@H]2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O3/c26-19-11-12-21-20(15-19)24(18-9-5-2-6-10-18)27-22(25(30)28-21)13-14-23(29)31-16-17-7-3-1-4-8-17/h1-12,15,22H,13-14,16H2,(H,28,30)/t22-/m0/s1