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

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-acetyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[4-[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-pyrrolidino-acetyl)piperazino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c27-18-22-20-10-4-5-11-21(20)23(19-8-2-1-3-9-19)28-24(22)29-14-16-31(17-15-29)26(33)25(32)30-12-6-7-13-30/h1-3,8-9H,4-7,10-17H2