7-chloranyl-N-[3-[4-(dipyridin-4-ylmethyl)-1,4-diazepan-1-yl]propyl]quinolin-4-amine

Systemtic Name: 7-chloranyl-N-[3-[4-(dipyridin-4-ylmethyl)-1,4-diazepan-1-yl]propyl]quinolin-4-amine Openeye Name: N-[3-[4-[bis(4-pyridyl)methyl]-1,4-diazepan-1-yl]propyl]-7-chloro-quinolin-4-amine CAS Name: 7-chloro-N-[3-[4-(dipyridin-4-ylmethyl)-1,4-diazepan-1-yl]propyl]-4-quinolinamine IUPAC Name: 7-chloro-N-[3-[4-(dipyridin-4-ylmethyl)-1,4-diazepan-1-yl]propyl]quinolin-4-amine Traditional Name: 3-[4-[bis(4-pyridyl)methyl]-1,4-diazepan-1-yl]propyl-(7-chloro-4-quinolyl)amine Formula: C28H31ClN6 MolecularWeight: 487.03894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=NC=C2)C3=CC=NC=C3)CCCNC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=NC=C2)C3=CC=NC=C3)CCCNC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C28H31ClN6/c29-24-3-4-25-26(9-15-33-27(25)21-24)32-10-1-16-34-17-2-18-35(20-19-34)28(22-5-11-30-12-6-22)23-7-13-31-14-8-23/h3-9,11-15,21,28H,1-2,10,16-20H2,(H,32,33)