6-chloranyl-3-methyl-9-(2-pyrazol-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 6-chloranyl-3-methyl-9-(2-pyrazol-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 6-chloro-3-methyl-9-(2-pyrazol-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 6-chloro-3-methyl-9-[2-(1-pyrazolyl)ethoxy]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 6-chloro-3-methyl-9-(2-pyrazol-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 6-chloro-3-methyl-9-(2-pyrazol-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2CC1)Cl)OCCN3C=CC=N3

Isomeric SMILES

CN1CCC2=C(C=CC(=C2CC1)Cl)OCCN3C=CC=N3

InChI

InChI=1S/C16H20ClN3O/c1-19-9-5-13-14(6-10-19)16(4-3-15(13)17)21-12-11-20-8-2-7-18-20/h2-4,7-8H,5-6,9-12H2,1H3