N-[3-[(4-tert-butylphenyl)methyl]-2-cyclopropyl-4-oxidanylidene-quinazolin-6-yl]pyridine-4-carboxamide

Systemtic Name: N-[3-[(4-tert-butylphenyl)methyl]-2-cyclopropyl-4-oxidanylidene-quinazolin-6-yl]pyridine-4-carboxamide Openeye Name: N-[3-[(4-tert-butylphenyl)methyl]-2-cyclopropyl-4-oxo-quinazolin-6-yl]pyridine-4-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)methyl]-2-cyclopropyl-4-oxo-6-quinazolinyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[(4-tert-butylphenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]pyridine-4-carboxamide Traditional Name: N-[3-(4-tert-butylbenzyl)-2-cyclopropyl-4-keto-quinazolin-6-yl]isonicotinamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=NC=C4)C5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C28H28N4O2/c1-28(2,3)21-8-4-18(5-9-21)17-32-25(19-6-7-19)31-24-11-10-22(16-23(24)27(32)34)30-26(33)20-12-14-29-15-13-20/h4-5,8-16,19H,6-7,17H2,1-3H3,(H,30,33)