1-methyl-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazinyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-morpholino-acetyl)piperazino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C#N

InChI

InChI=1S/C21H27N5O3/c1-15-16-4-2-3-5-17(16)18(14-22)19(23-15)24-6-8-25(9-7-24)20(27)21(28)26-10-12-29-13-11-26/h2-13H2,1H3