5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile

Systemtic Name: 5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile Openeye Name: 5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile CAS Name: 5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile IUPAC Name: 5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile Traditional Name: 5-(2-chlorophenyl)-8-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile Formula: C18H12ClN5O MolecularWeight: 349.77378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C#N)C(=NC3=CNNC3=N2)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC2=C(C=C1C#N)C(=NC3=CNNC3=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H12ClN5O/c1-25-16-7-14-12(6-10(16)8-20)17(11-4-2-3-5-13(11)19)22-15-9-21-24-18(15)23-14/h2-7,9H,1H3,(H2,21,23,24)