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

Systemtic Name: N-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propyl]-7-chloranyl-quinolin-4-amine Openeye Name: N-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propyl]-7-chloro-quinolin-4-amine CAS Name: N-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]-1-piperazinyl]propyl]-7-chloro-4-quinolinamine IUPAC Name: N-[3-[4-[3-[bis(cyclohexylmethyl)amino]propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine Traditional Name: 3-[4-[3-[(7-chloro-4-quinolyl)amino]propyl]piperazino]propyl-bis(cyclohexylmethyl)amine Formula: C33H52ClN5 MolecularWeight: 554.25248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCCN2CCN(CC2)CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5CCCCC5

Isomeric SMILES

C1CCC(CC1)CN(CCCN2CCN(CC2)CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5CCCCC5

InChI

InChI=1S/C33H52ClN5/c34-30-13-14-31-32(15-17-36-33(31)25-30)35-16-7-18-37-21-23-38(24-22-37)19-8-20-39(26-28-9-3-1-4-10-28)27-29-11-5-2-6-12-29/h13-15,17,25,28-29H,1-12,16,18-24,26-27H2,(H,35,36)