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

Systemtic Name: 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-methyl-3-piperidyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-methylphenyl)-3-(1-methyl-3-piperidinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-methyl-3-piperidyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H28N4 MolecularWeight: 324.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4CCCN(C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4CCCN(C4)C

InChI

InChI=1S/C20H28N4/c1-15-7-5-9-17(13-15)24-20-18(10-3-4-11-21-20)19(22-24)16-8-6-12-23(2)14-16/h5,7,9,13,16,22H,3-4,6,8,10-12,14H2,1-2H3