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

Systemtic Name: 1-[5-methoxy-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]pent-4-yn-1-one Openeye Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-5-methoxy-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[5-methoxy-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-1-indolyl]-4-pentyn-1-one IUPAC Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-5-methoxyindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-5-methoxy-indol-1-yl]pent-4-yn-1-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3=CCCN(C3)CC4=CC=CC=C4)C(=O)CCC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3=CCCN(C3)CC4=CC=CC=C4)C(=O)CCC#C

InChI

InChI=1S/C26H26N2O2/c1-3-4-12-26(29)28-19-24(23-16-22(30-2)13-14-25(23)28)21-11-8-15-27(18-21)17-20-9-6-5-7-10-20/h1,5-7,9-11,13-14,16,19H,4,8,12,15,17-18H2,2H3