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

Systemtic Name: 2-pentan-3-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-(1-ethylpropyl)-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-pentan-3-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-pentan-3-yl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-(1-ethylpropyl)-3-phenyl-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(CC)N1C(=C2CCNCCC2=N1)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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