3-(2-chloroethyl)-7-(2-methylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(2-chloroethyl)-7-(2-methylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(2-chloroethyl)-7-(2-methylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(2-chloroethyl)-7-(2-methyl-3-pyrazolyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(2-chloroethyl)-7-(2-methylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(2-chloroethyl)-7-(2-methylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C16H20ClN3 MolecularWeight: 289.8031

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=CC3=C(CCN(CC3)CCCl)C=C2

Isomeric SMILES

CN1C(=CC=N1)C2=CC3=C(CCN(CC3)CCCl)C=C2

InChI

InChI=1S/C16H20ClN3/c1-19-16(4-8-18-19)15-3-2-13-5-9-20(11-7-17)10-6-14(13)12-15/h2-4,8,12H,5-7,9-11H2,1H3