N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-piperidin-1-ylhexylamino)pyrimidin-4-yl]benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-piperidin-1-ylhexylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[6-(1-piperidyl)hexylamino]pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[6-(1-piperidinyl)hexylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-piperidin-1-ylhexylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-piperidinohexylamino)pyrimidin-4-yl]benzamide Formula: C33H39N7O MolecularWeight: 549.70906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

C1CCN(CC1)CCCCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C33H39N7O/c34-23-28-24-38-31-13-8-25(22-29(28)31)14-17-35-32(41)27-11-9-26(10-12-27)30-15-18-37-33(39-30)36-16-4-1-2-5-19-40-20-6-3-7-21-40/h8-13,15,18,22,24,38H,1-7,14,16-17,19-21H2,(H,35,41)(H,36,37,39)