3-(4-chlorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 3-(4-chlorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-(4-chlorophenyl)-2-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-chlorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-chlorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-(4-chlorophenyl)-2-isopropyl-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C16H20ClN3 MolecularWeight: 289.8031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN3/c1-11(2)20-16(12-3-5-13(17)6-4-12)14-7-9-18-10-8-15(14)19-20/h3-6,11,18H,7-10H2,1-2H3