1-[4,5,6-trimethoxy-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]pent-4-yn-1-one

Systemtic Name: 1-[4,5,6-trimethoxy-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)-4,5,6-trimethoxy-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[4,5,6-trimethoxy-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)-4,5,6-trimethoxyindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6-trimethoxy-indol-1-yl]pent-4-yn-1-one Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C)OC)OC

InChI

InChI=1S/C28H30N2O4/c1-5-6-12-25(31)30-19-22(26-23(30)17-24(32-2)27(33-3)28(26)34-4)21-13-15-29(16-14-21)18-20-10-8-7-9-11-20/h1,7-11,13,17,19H,6,12,14-16,18H2,2-4H3