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

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-pyrrolidin-1-ylhexylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-pyrrolidin-1-ylhexylamino)pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[6-(1-pyrrolidinyl)hexylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-pyrrolidin-1-ylhexylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(6-pyrrolidinohexylamino)pyrimidin-4-yl]benzamide Formula: C32H37N7O MolecularWeight: 535.68248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

C1CCN(C1)CCCCCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C32H37N7O/c33-22-27-23-37-30-12-7-24(21-28(27)30)13-16-34-31(40)26-10-8-25(9-11-26)29-14-17-36-32(38-29)35-15-3-1-2-4-18-39-19-5-6-20-39/h7-12,14,17,21,23,37H,1-6,13,15-16,18-20H2,(H,34,40)(H,35,36,38)