4-(1-ethyl-8-oxidanylidene-3-propan-2-yl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(1-ethyl-8-oxidanylidene-3-propan-2-yl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile Openeye Name: 4-(1-ethyl-3-isopropyl-8-oxo-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile CAS Name: 4-(1-ethyl-8-oxo-3-propan-2-yl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile IUPAC Name: 4-(1-ethyl-8-oxo-3-propan-2-yl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Traditional Name: 4-(1-ethyl-3-isopropyl-8-keto-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N5O/c1-4-23-17-16(15(22-23)11(2)3)21-14(10-20-18(17)24)13-7-5-12(9-19)6-8-13/h5-8,11H,4,10H2,1-3H3,(H,20,24)