N-[1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-pentyl-N-(phenylmethyl)benzamide

Systemtic Name: N-[1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-pentyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-4-pentyl-benzamide CAS Name: N-[1-[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-4-pentyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-benzyl-N-[1-[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]propyl]benzamide Formula: C37H39N3O3 MolecularWeight: 573.72386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C(CC)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C(CC)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

InChI

InChI=1S/C37H39N3O3/c1-4-6-8-13-27-18-20-29(21-19-27)36(41)39(26-28-14-9-7-10-15-28)34(5-2)35-38-33-17-12-11-16-32(33)37(42)40(35)30-22-24-31(43-3)25-23-30/h7,9-12,14-25,34H,4-6,8,13,26H2,1-3H3