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

Systemtic Name: 5-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-4-carbonitrile Openeye Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-4-carbonitrile CAS Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-4-carbonitrile IUPAC Name: 5-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-4-carbonitrile Traditional Name: 3-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1,5-diphenyl-2-pyrazoline-4-carbonitrile Formula: C32H24ClN5O MolecularWeight: 530.01886

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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=CC=C4)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=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H24ClN5O/c1-37-27-18-17-23(33)19-25(27)28(21-11-5-2-6-12-21)35-30(32(37)39)29-26(20-34)31(22-13-7-3-8-14-22)38(36-29)24-15-9-4-10-16-24/h2-19,26,30-31H,1H3