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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-2-methylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H26ClN3 MolecularWeight: 331.88284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3/c1-4-14(5-2)18-15-9-6-7-12-21-19(15)23(22-18)17-11-8-10-16(20)13(17)3/h8,10-11,14,22H,4-7,9,12H2,1-3H3