3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine

Systemtic Name: 3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Openeye Name: 3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine CAS Name: 3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine IUPAC Name: 3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Traditional Name: 3-(4-methoxyphenyl)-1,2,4,5,6,7-hexahydropyrazol[3,4-b]azepine Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CCCCN=C3NN2

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CCCCN=C3NN2

InChI

InChI=1S/C14H17N3O/c1-18-11-7-5-10(6-8-11)13-12-4-2-3-9-15-14(12)17-16-13/h5-8H,2-4,9H2,1H3,(H2,15,16,17)