(3-chloranyl-2-nitro-phenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone

Systemtic Name: (3-chloranyl-2-nitro-phenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Openeye Name: (3-chloro-2-nitro-phenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone CAS Name: (3-chloro-2-nitrophenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone IUPAC Name: (3-chloro-2-nitrophenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Traditional Name: (3-chloro-2-nitro-phenyl)-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Formula: C26H22ClN5O3 MolecularWeight: 487.93758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=C(C(=CC=C3)Cl)[N+](=O)[O-])C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=C(C(=CC=C3)Cl)[N+](=O)[O-])C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H22ClN5O3/c27-23-8-4-7-22(25(23)32(34)35)26(33)31-12-11-30(16-21-14-28-17-29-21)24-10-9-19(13-20(24)15-31)18-5-2-1-3-6-18/h1-10,13-14,17H,11-12,15-16H2,(H,28,29)