2-(azepan-1-yl)-6-bromanyl-N-[1-(phenylmethyl)piperidin-4-yl]quinazolin-4-amine

Systemtic Name: 2-(azepan-1-yl)-6-bromanyl-N-[1-(phenylmethyl)piperidin-4-yl]quinazolin-4-amine Openeye Name: 2-(azepan-1-yl)-N-(1-benzyl-4-piperidyl)-6-bromo-quinazolin-4-amine CAS Name: 2-(1-azepanyl)-6-bromo-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine IUPAC Name: 2-(azepan-1-yl)-N-(1-benzylpiperidin-4-yl)-6-bromoquinazolin-4-amine Traditional Name: [2-(azepan-1-yl)-6-bromo-quinazolin-4-yl]-(1-benzyl-4-piperidyl)amine Formula: C26H32BrN5 MolecularWeight: 494.46978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(C=C(C=C3)Br)C(=N2)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(C=C(C=C3)Br)C(=N2)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H32BrN5/c27-21-10-11-24-23(18-21)25(30-26(29-24)32-14-6-1-2-7-15-32)28-22-12-16-31(17-13-22)19-20-8-4-3-5-9-20/h3-5,8-11,18,22H,1-2,6-7,12-17,19H2,(H,28,29,30)