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

Systemtic Name: 4-(8-oxidanylidene-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzenecarbonitrile Openeye Name: 4-(3-isopropyl-8-oxo-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile CAS Name: 4-(8-oxo-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile IUPAC Name: 4-(8-oxo-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Traditional Name: 4-(3-isopropyl-8-keto-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-5-yl)benzonitrile Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=N1)C(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C(=N1)C(C)C)N=C(CNC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5O/c1-4-9-24-18-17(16(23-24)12(2)3)22-15(11-21-19(18)25)14-7-5-13(10-20)6-8-14/h5-8,12H,4,9,11H2,1-3H3,(H,21,25)