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

Systemtic Name: 1-(4-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-ethylphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-ethylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-ethylphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H29N3 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C(CC)CC

InChI

InChI=1S/C20H29N3/c1-4-15-10-12-17(13-11-15)23-20-18(9-7-8-14-21-20)19(22-23)16(5-2)6-3/h10-13,16,22H,4-9,14H2,1-3H3