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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Openeye Name: 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamidine CAS Name: 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Traditional Name: 3-(3,5-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(=CC(=C1)C2=C3CCCCN=C3N(N2)C(=N)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-22-11-7-10(8-12(9-11)23-2)14-13-5-3-4-6-19-15(13)21(20-14)16(17)18/h7-9,20H,3-6H2,1-2H3,(H3,17,18)