1,3-bis[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea

Systemtic Name: 1,3-bis[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea Openeye Name: 1,3-bis[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea CAS Name: 1,3-bis[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea IUPAC Name: 1,3-bis[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea Traditional Name: 1,3-bis[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]urea Formula: C31H24Cl2N8O MolecularWeight: 595.48126

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NNC(=O)NNC4=NC5=C(C=C(C=C5)Cl)C(=NC4)C6=CC=CC=C6

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NNC(=O)NNC4=NC5=C(C=C(C=C5)Cl)C(=NC4)C6=CC=CC=C6

InChI

InChI=1S/C31H24Cl2N8O/c32-21-11-13-25-23(15-21)29(19-7-3-1-4-8-19)34-17-27(36-25)38-40-31(42)41-39-28-18-35-30(20-9-5-2-6-10-20)24-16-22(33)12-14-26(24)37-28/h1-16H,17-18H2,(H,36,38)(H,37,39)(H2,40,41,42)