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

Systemtic Name: 3-(1-adamantyl)-1-(3-chloranyl-4-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-adamantyl)-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(1-adamantyl)-1-(3-chloro-4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-adamantyl)-1-(3-chloro-4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-adamantyl)-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H30ClN3 MolecularWeight: 395.9681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C24H30ClN3/c1-15-5-6-19(11-21(15)25)28-23-20(4-2-3-7-26-23)22(27-28)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-6,11,16-18,27H,2-4,7-10,12-14H2,1H3