3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one

Systemtic Name: 3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Openeye Name: 3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one CAS Name: 3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one IUPAC Name: 3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Traditional Name: 3-tert-butyl-5-(2,4-dimethoxyphenyl)-1-propyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H28N4O3/c1-7-10-25-18-17(19(24-25)21(2,3)4)23-15(12-22-20(18)26)14-9-8-13(27-5)11-16(14)28-6/h8-9,11H,7,10,12H2,1-6H3,(H,22,26)