3-[[(E)-[3-(1-adamantyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]methyl]amino]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[[(E)-[3-(1-adamantyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]methyl]amino]-2-methyl-quinazolin-4-one Openeye Name: 3-[[(E)-[3-(1-adamantyl)-5-oxo-1-phenyl-pyrazol-4-ylidene]methyl]amino]-2-methyl-quinazolin-4-one CAS Name: 3-[[(E)-[3-(1-adamantyl)-5-oxo-1-phenyl-4-pyrazolylidene]methyl]amino]-2-methyl-4-quinazolinone IUPAC Name: 3-[[(E)-[3-(1-adamantyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]amino]-2-methylquinazolin-4-one Traditional Name: 3-[[(E)-[3-(1-adamantyl)-5-keto-1-phenyl-2-pyrazolin-4-ylidene]methyl]amino]-2-methyl-quinazolin-4-one Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC=C3C(=NN(C3=O)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H29N5O2/c1-18-31-25-10-6-5-9-23(25)27(35)33(18)30-17-24-26(32-34(28(24)36)22-7-3-2-4-8-22)29-14-19-11-20(15-29)13-21(12-19)16-29/h2-10,17,19-21,30H,11-16H2,1H3/b24-17+