1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 1-but-3-enyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H20ClN3 MolecularWeight: 301.8138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1C2=C(CCNCC2)C(=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCCN1C2=C(CCNCC2)C(=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3/c1-2-3-12-21-16-9-11-19-10-8-15(16)17(20-21)13-4-6-14(18)7-5-13/h2,4-7,19H,1,3,8-12H2