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

Systemtic Name: 1-methyl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-yl-acetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-pyrrolidino-acetyl)piperazino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C#N

InChI

InChI=1S/C21H27N5O2/c1-15-16-6-2-3-7-17(16)18(14-22)19(23-15)24-10-12-26(13-11-24)21(28)20(27)25-8-4-5-9-25/h2-13H2,1H3