1-[6-chloranyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]pent-4-yn-1-one

Systemtic Name: 1-[6-chloranyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]pent-4-yn-1-one Openeye Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[6-chloro-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1-indolyl]-4-pentyn-1-one IUPAC Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloroindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-indol-1-yl]pent-4-yn-1-one Formula: C25H23ClN2O MolecularWeight: 402.91592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=O)N1C=C(C2=C1C=C(C=C2)Cl)C3=CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C#CCCC(=O)N1C=C(C2=C1C=C(C=C2)Cl)C3=CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O/c1-2-3-9-25(29)28-18-23(22-11-10-21(26)16-24(22)28)20-12-14-27(15-13-20)17-19-7-5-4-6-8-19/h1,4-8,10-12,16,18H,3,9,13-15,17H2