3-[4-[3-(azepan-1-yl)propyl]piperazin-1-yl]-7-chloranyl-N-propyl-quinolin-4-amine

Systemtic Name: 3-[4-[3-(azepan-1-yl)propyl]piperazin-1-yl]-7-chloranyl-N-propyl-quinolin-4-amine Openeye Name: 3-[4-[3-(azepan-1-yl)propyl]piperazin-1-yl]-7-chloro-N-propyl-quinolin-4-amine CAS Name: 3-[4-[3-(1-azepanyl)propyl]-1-piperazinyl]-7-chloro-N-propyl-4-quinolinamine IUPAC Name: 3-[4-[3-(azepan-1-yl)propyl]piperazin-1-yl]-7-chloro-N-propylquinolin-4-amine Traditional Name: [3-[4-[3-(azepan-1-yl)propyl]piperazino]-7-chloro-4-quinolyl]-propyl-amine Formula: C25H38ClN5 MolecularWeight: 444.05572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C=CC(=CC2=NC=C1N3CCN(CC3)CCCN4CCCCCC4)Cl

Isomeric SMILES

CCCNC1=C2C=CC(=CC2=NC=C1N3CCN(CC3)CCCN4CCCCCC4)Cl

InChI

InChI=1S/C25H38ClN5/c1-2-10-27-25-22-9-8-21(26)19-23(22)28-20-24(25)31-17-15-30(16-18-31)14-7-13-29-11-5-3-4-6-12-29/h8-9,19-20H,2-7,10-18H2,1H3,(H,27,28)