2-azanyl-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H22BrN5 MolecularWeight: 484.39038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H22BrN5/c27-19-12-10-17(11-13-19)15-32-16-22(25(31-32)18-6-2-1-3-7-18)24-20-8-4-5-9-23(20)30-26(29)21(24)14-28/h1-3,6-7,10-13,16H,4-5,8-9,15H2,(H2,29,30)