5-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile

Systemtic Name: 5-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Openeye Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile CAS Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile IUPAC Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Traditional Name: 3-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-(4-chlorophenyl)-1-phenyl-2-pyrazoline-4-carbonitrile Formula: C32H23Cl2N5O MolecularWeight: 564.46392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C3=NN(C(C3C#N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)C3=NN(C(C3C#N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H23Cl2N5O/c1-38-27-17-16-23(34)18-25(27)28(20-8-4-2-5-9-20)36-30(32(38)40)29-26(19-35)31(21-12-14-22(33)15-13-21)39(37-29)24-10-6-3-7-11-24/h2-18,26,30-31H,1H3