3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-butanoylpiperazin-1-yl)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[4-(1-oxobutyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-butyrylpiperazino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C4=CC=CO4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C4=CC=CO4

InChI

InChI=1S/C22H26N4O2/c1-2-6-20(27)25-10-12-26(13-11-25)22-18(15-23)16-7-3-4-8-17(16)21(24-22)19-9-5-14-28-19/h5,9,14H,2-4,6-8,10-13H2,1H3