3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C30H27N5O MolecularWeight: 473.56828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C5=NC(=O)C6=CC=CC=C6N5)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C5=NC(=O)C6=CC=CC=C6N5)C7=CC=CC=C7

InChI

InChI=1S/C30H27N5O/c31-17-22(28-32-26-9-5-4-8-25(26)29(36)33-28)13-23-18-35(24-6-2-1-3-7-24)34-27(23)30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,18-21H,10-12,14-16H2,(H,32,33,36)