1-[1-[(2R)-2,3-bis(oxidanyl)propyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[1-[(2R)-2,3-bis(oxidanyl)propyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-(4-chlorophenyl)-3-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[1-[(2R)-2,3-dihydroxypropyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(CO)O)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)C[C@H](CO)O)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O4/c26-17-10-12-18(13-11-17)27-25(34)29-23-24(33)30(14-19(32)15-31)21-9-5-4-8-20(21)22(28-23)16-6-2-1-3-7-16/h1-13,19,23,31-32H,14-15H2,(H2,27,29,34)/t19-,23?/m1/s1