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

Systemtic Name: 2-butan-2-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-phenyl-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-butan-2-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-butan-2-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-phenyl-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H23N3 MolecularWeight: 269.38462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3/c1-3-13(2)20-17(14-7-5-4-6-8-14)15-9-11-18-12-10-16(15)19-20/h4-8,13,18H,3,9-12H2,1-2H3