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

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

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

Isomeric SMILES

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

InChI

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