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

Systemtic Name: 4-chloranyl-N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-pentyl-benzamide Openeye Name: 4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-benzamide CAS Name: 4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-N-pentylbenzamide IUPAC Name: 4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)propyl]benzamide Formula: C31H34ClN3O3 MolecularWeight: 532.07296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H34ClN3O3/c1-4-7-10-21-34(30(36)22-13-15-23(32)16-14-22)28(5-2)29-33-27-12-9-8-11-26(27)31(37)35(29)24-17-19-25(20-18-24)38-6-3/h8-9,11-20,28H,4-7,10,21H2,1-3H3