3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide

Systemtic Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Openeye Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamidine CAS Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Traditional Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carboxamidine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C3CCCCN=C3N(N2)C(=N)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C3CCCCN=C3N(N2)C(=N)N)OC

InChI

InChI=1S/C16H21N5O2/c1-22-10-6-7-11(13(9-10)23-2)14-12-5-3-4-8-19-15(12)21(20-14)16(17)18/h6-7,9,20H,3-5,8H2,1-2H3,(H3,17,18)