3-cyclobutyl-7-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-cyclobutyl-7-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-cyclobutyl-7-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-cyclobutyl-7-[[4-(1-pyrazolyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-cyclobutyl-7-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-cyclobutyl-7-(4-pyrazol-1-ylbenzyl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C24H27N3 MolecularWeight: 357.49128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)CC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)CC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C24H27N3/c1-3-23(4-1)26-15-11-21-8-5-20(18-22(21)12-16-26)17-19-6-9-24(10-7-19)27-14-2-13-25-27/h2,5-10,13-14,18,23H,1,3-4,11-12,15-17H2