N-[3-(benzotriazol-1-yl)propyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-amine

Systemtic Name: N-[3-(benzotriazol-1-yl)propyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-amine Openeye Name: N-[3-(benzotriazol-1-yl)propyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-amine CAS Name: N-[3-(1-benzotriazolyl)propyl]-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanamine IUPAC Name: N-[3-(benzotriazol-1-yl)propyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-amine Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]amine Formula: C26H33N7O MolecularWeight: 459.58652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)NCCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)NCCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H33N7O/c1-3-34-21-11-12-23-22(18-21)19(2)28-26(29-23)32-15-6-8-20(13-17-32)27-14-7-16-33-25-10-5-4-9-24(25)30-31-33/h4-5,9-12,18,20,27H,3,6-8,13-17H2,1-2H3