1-[7-methoxy-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]pent-4-yn-1-one

Systemtic Name: 1-[7-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)-7-methoxy-indol-1-yl]pent-4-yn-1-one CAS Name: 1-[7-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)-7-methoxyindol-1-yl]pent-4-yn-1-one Traditional Name: 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-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=CC=CC2=C1N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C

Isomeric SMILES

COC1=CC=CC2=C1N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C

InChI

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