(E)-3-[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C30H25N5O2 MolecularWeight: 487.5518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OC(C)C

InChI

InChI=1S/C30H25N5O2/c1-19(2)37-27-14-13-21(15-20(27)3)28-23(18-35(34-28)24-9-5-4-6-10-24)16-22(17-31)29-32-26-12-8-7-11-25(26)30(36)33-29/h4-16,18-19H,1-3H3,(H,32,33,36)/b22-16+