N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propanamide CAS Name: N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-3-[4-keto-3-(p-tolyl)quinazolin-2-yl]propionamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N3O2/c1-19-6-8-23(9-7-19)32-26(31-25-5-3-2-4-24(25)28(32)34)10-11-27(33)30-18-29-15-20-12-21(16-29)14-22(13-20)17-29/h2-9,20-22H,10-18H2,1H3,(H,30,33)