2-[2-(4-azanylbutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-(4-azanylbutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[2-(4-aminobutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-benzyl-acetamide CAS Name: 2-[2-(4-aminobutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[2-(4-aminobutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-benzylacetamide Traditional Name: 2-[2-(4-aminobutylamino)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-benzyl-acetamide Formula: C33H35N5O MolecularWeight: 517.6639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2C3=CC=CC=C3N=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)NCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2C3=CC=CC=C3N=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)NCCCCN

InChI

InChI=1S/C33H35N5O/c34-21-9-10-22-35-33-37-30-16-8-7-15-29(30)31(23-32(39)36-24-25-11-3-1-4-12-25)38(33)28-19-17-27(18-20-28)26-13-5-2-6-14-26/h1-8,11-20,31H,9-10,21-24,34H2,(H,35,37)(H,36,39)