1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole-6-carbonitrile

Systemtic Name: 1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole-6-carbonitrile Openeye Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-6-carbonitrile CAS Name: 1-(1-oxopent-4-ynyl)-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-6-indolecarbonitrile IUPAC Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoylindole-6-carbonitrile Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-6-carbonitrile Formula: C26H23N3O MolecularWeight: 393.48032

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=O)N1C=C(C2=C1C=C(C=C2)C#N)C3=CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C#CCCC(=O)N1C=C(C2=C1C=C(C=C2)C#N)C3=CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O/c1-2-3-9-26(30)29-19-24(23-11-10-21(17-27)16-25(23)29)22-12-14-28(15-13-22)18-20-7-5-4-6-8-20/h1,4-8,10-12,16,19H,3,9,13-15,18H2