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

Systemtic Name: 1-[5,6-dimethoxy-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)-5,6-dimethoxy-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[5,6-dimethoxy-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)-5,6-dimethoxyindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dimethoxy-indol-1-yl]pent-4-yn-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O3/c1-4-5-11-27(30)29-19-23(22-16-25(31-2)26(32-3)17-24(22)29)21-12-14-28(15-13-21)18-20-9-7-6-8-10-20/h1,6-10,12,16-17,19H,5,11,13-15,18H2,2-3H3