(2S)-1-[(2S)-2-azanyl-5-oxidanylidene-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-5-oxidanylidene-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-5-oxo-5-[4-(4-pyridyl)piperazin-1-yl]pentanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-1,5-dioxo-5-(4-pyridin-4-yl-1-piperazinyl)pentyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-5-keto-5-[4-(4-pyridyl)piperazino]pentanoyl]pyrrolidine-2-carbonitrile Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)N2CCN(CC2)C3=CC=NC=C3)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N2CCN(CC2)C3=CC=NC=C3)N)C#N

InChI

InChI=1S/C19H26N6O2/c20-14-16-2-1-9-25(16)19(27)17(21)3-4-18(26)24-12-10-23(11-13-24)15-5-7-22-8-6-15/h5-8,16-17H,1-4,9-13,21H2/t16-,17-/m0/s1