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

Systemtic Name: 2-azanyl-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C26H21BrN4O2 MolecularWeight: 501.37454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1

InChI

InChI=1S/C26H21BrN4O2/c27-18-11-9-16(10-12-18)14-31-15-20(25(30-31)17-5-2-1-3-6-17)23-19(13-28)26(29)33-22-8-4-7-21(32)24(22)23/h1-3,5-6,9-12,15,23H,4,7-8,14,29H2