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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-4-methylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CS4)Cl

InChI

InChI=1S/C18H18ClN3S/c1-12-7-8-13(11-15(12)19)22-18-14(5-2-3-9-20-18)17(21-22)16-6-4-10-23-16/h4,6-8,10-11,21H,2-3,5,9H2,1H3