2-butan-2-yl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 2-butan-2-yl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-(p-tolyl)-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-butan-2-yl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-butan-2-yl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-(p-tolyl)-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C18H25N3 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3/c1-4-14(3)21-18(15-7-5-13(2)6-8-15)16-9-11-19-12-10-17(16)20-21/h5-8,14,19H,4,9-12H2,1-3H3