3-butyl-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-butyl-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H25N3 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C

InChI

InChI=1S/C18H25N3/c1-3-4-11-17-16-10-5-6-12-19-18(16)21(20-17)15-9-7-8-14(2)13-15/h7-9,13,20H,3-6,10-12H2,1-2H3