1-(3-chloranyl-2-methyl-phenyl)-3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-piperidylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-2-methylphenyl)-3-(1-piperidinylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(piperidinomethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H27ClN4 MolecularWeight: 358.90818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)CN4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)CN4CCCCC4

InChI

InChI=1S/C20H27ClN4/c1-15-17(21)9-7-10-19(15)25-20-16(8-3-4-11-22-20)18(23-25)14-24-12-5-2-6-13-24/h7,9-10,23H,2-6,8,11-14H2,1H3