3-oxidanylidene-3-[2-[4-[5-(phenylcarbonyl)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[2-[4-[5-(phenylcarbonyl)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]propanenitrile Openeye Name: 3-[2-[4-(5-benzoyl-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[2-[[4-[5-benzoyl-2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-3-oxopropanenitrile IUPAC Name: 3-[2-[4-(5-benzoyl-2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropanenitrile Traditional Name: 3-[2-[4-(5-benzoyl-2,6-dipyrrolidino-pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidino]-3-keto-propionitrile Formula: C31H38N8O3 MolecularWeight: 570.68522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)C5CCCN5C(=O)CC#N)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)C5CCCN5C(=O)CC#N)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H38N8O3/c32-13-12-25(40)39-18-8-11-24(39)30(42)37-21-19-36(20-22-37)29-26(27(41)23-9-2-1-3-10-23)28(35-14-4-5-15-35)33-31(34-29)38-16-6-7-17-38/h1-3,9-10,24H,4-8,11-12,14-22H2