1-(4-chlorophenyl)-3-[2-oxidanylidene-1-[(1S)-1-oxidanyl-2-pyrrolidin-1-yl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-oxidanylidene-1-[(1S)-1-oxidanyl-2-pyrrolidin-1-yl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[1-[(1S)-1-hydroxy-2-pyrrolidin-1-yl-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[1-[(1S)-1-hydroxy-2-(1-pyrrolidinyl)ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[1-[(1S)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[1-[(1S)-1-hydroxy-2-pyrrolidino-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C28H28ClN5O3 MolecularWeight: 518.00662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O

Isomeric SMILES

C1CCN(C1)C[C@@H](N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O

InChI

InChI=1S/C28H28ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(24(35)18-33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,24,26,35H,6-7,16-18H2,(H2,30,32,37)/t24-,26?/m0/s1