4-(1-cyclopentyl-3-ethyl-4-oxidanylidene-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzenecarbonitrile

Systemtic Name: 4-(1-cyclopentyl-3-ethyl-4-oxidanylidene-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzenecarbonitrile Openeye Name: 4-(1-cyclopentyl-3-ethyl-4-oxo-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzonitrile CAS Name: 4-(1-cyclopentyl-3-ethyl-4-oxo-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzonitrile IUPAC Name: 4-(1-cyclopentyl-3-ethyl-4-oxo-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzonitrile Traditional Name: 4-(1-cyclopentyl-3-ethyl-4-keto-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-yl)benzonitrile Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=C(C=C3)C#N)C4CCCC4

Isomeric SMILES

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=C(C=C3)C#N)C4CCCC4

InChI

InChI=1S/C20H21N5O/c1-2-16-18-19(25(24-16)15-5-3-4-6-15)23-17(12-22-20(18)26)14-9-7-13(11-21)8-10-14/h7-10,15H,2-6,12H2,1H3,(H,22,26)