N-[4-(1-adamantyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCC5=NC(=O)C6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCC5=NC(=O)C6=CC=CC=C6N5

InChI

InChI=1S/C27H29N3O2/c31-25(10-9-24-29-23-4-2-1-3-22(23)26(32)30-24)28-21-7-5-20(6-8-21)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-8,17-19H,9-16H2,(H,28,31)(H,29,30,32)