N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-piperidin-1-ylbutylamino)pyrimidin-4-yl]benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-piperidin-1-ylbutylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[4-(1-piperidyl)butylamino]pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[4-(1-piperidinyl)butylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-piperidin-1-ylbutylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-piperidinobutylamino)pyrimidin-4-yl]benzamide Formula: C31H35N7O MolecularWeight: 521.6559

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

C1CCN(CC1)CCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C31H35N7O/c32-21-26-22-36-29-11-6-23(20-27(26)29)12-15-33-30(39)25-9-7-24(8-10-25)28-13-16-35-31(37-28)34-14-2-5-19-38-17-3-1-4-18-38/h6-11,13,16,20,22,36H,1-5,12,14-15,17-19H2,(H,33,39)(H,34,35,37)