1-[[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]carbonyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]carbonyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[6-(4-cyclopentyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[6-(4-cyclopentylpiperazino)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carbonitrile Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=NC4=C(C=C3)C=C(N4)C(=O)N5CCCC5C#N

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=NC4=C(C=C3)C=C(N4)C(=O)N5CCCC5C#N

InChI

InChI=1S/C22H28N6O/c23-15-18-6-3-9-28(18)22(29)19-14-16-7-8-20(25-21(16)24-19)27-12-10-26(11-13-27)17-4-1-2-5-17/h7-8,14,17-18H,1-6,9-13H2,(H,24,25)