2-[[6-(3-azanylpiperidin-1-yl)-2,4-bis(oxidanylidene)-3-[(3-pyrrolidin-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3-azanylpiperidin-1-yl)-2,4-bis(oxidanylidene)-3-[(3-pyrrolidin-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3-amino-1-piperidyl)-2,4-dioxo-3-[(3-pyrrolidin-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-amino-1-piperidinyl)-2,4-dioxo-3-[[3-(1-pyrrolidinyl)phenyl]methyl]-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(3-aminopiperidin-1-yl)-2,4-dioxo-3-[(3-pyrrolidin-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3-aminopiperidino)-2,4-diketo-3-(3-pyrrolidinobenzyl)pyrimidin-1-yl]methyl]benzonitrile Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)CN3C(=O)C=C(N(C3=O)CC4=CC=CC=C4C#N)N5CCCC(C5)N

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)CN3C(=O)C=C(N(C3=O)CC4=CC=CC=C4C#N)N5CCCC(C5)N

InChI

InChI=1S/C28H32N6O2/c29-17-22-8-1-2-9-23(22)19-33-26(32-14-6-10-24(30)20-32)16-27(35)34(28(33)36)18-21-7-5-11-25(15-21)31-12-3-4-13-31/h1-2,5,7-9,11,15-16,24H,3-4,6,10,12-14,18-20,30H2