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

Systemtic Name: 1-[6-methoxy-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-methoxy-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[6-methoxy-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-methoxyindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-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)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4

InChI

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