3-pentan-3-yl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-pentan-3-yl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-ethylpropyl)-1-(2-isopropylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-pentan-3-yl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-pentan-3-yl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-ethylpropyl)-1-o-cumenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H31N3 MolecularWeight: 325.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C(C)C

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H31N3/c1-5-16(6-2)20-18-12-9-10-14-22-21(18)24(23-20)19-13-8-7-11-17(19)15(3)4/h7-8,11,13,15-16,23H,5-6,9-10,12,14H2,1-4H3